Chemical Components in the PDB

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N6K : Summary

Code

N6K

One-letter code

X

Molecule name

~{N}-(1~{H}-indazol-5-ylmethyl)ethanesulfonamide

Synonyms

N-(1H-indazol-5-ylmethyl)ethenesulfonamide (precursor)

Systematic names

ProgramVersionName
OpenEye OEToolkits 3.1.0.0 ~{N}-(1~{H}-indazol-5-ylmethyl)ethanesulfonamide

Formula

C10 H13 N3 O2 S

Formal charge

0

Molecular weight

239.294 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC[S](=O)(=O)NCc1ccc2[nH]ncc2c1
SMILES OpenEye OEToolkits 3.1.0.0 CCS(=O)(=O)NCc1ccc2c(c1)cn[nH]2
Canonical SMILES CACTVS 3.385 CC[S](=O)(=O)NCc1ccc2[nH]ncc2c1
Canonical SMILES OpenEye OEToolkits 3.1.0.0 CCS(=O)(=O)NCc1ccc2c(c1)cn[nH]2

IUPAC InChI

InChI=1S/C10H13N3O2S/c1-2-16(14,15)12-6-8-3-4-10-9(5-8)7-11-13-10/h3-5,7,12H,2,6H2,1H3,(H,11,13)

IUPAC InChI key

DECVSTKTZAVTKM-UHFFFAOYSA-N
N6K

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-12

Last modified at

2022-09-23

Status

Released

Obsoleted

Not Assigned