N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide

C12H12N6O2S — CID 54675470

IUPACN-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C12H12N6O2S/c1-13-21(19,20)9-4-2-3-8(5-9)18-12-10-11(15-6-14-10)16-7-17-12/h2-7,13H,1H3,(H2,14,15,16,17,18)
InChIKeyONVDHHGLDDAZRU-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.00
Rot. Bonds4

About N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide

N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide (PubChem CID 54675470) has the molecular formula C12H12N6O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide
PubChem CID54675470
Molecular FormulaC12H12N6O2S
Molecular Weight304.34 g/mol
Exact Mass304.07
IUPAC NameN-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C12H12N6O2S/c1-13-21(19,20)9-4-2-3-8(5-9)18-12-10-11(15-6-14-10)16-7-17-12/h2-7,13H,1H3,(H2,14,15,16,17,18)
InChIKeyONVDHHGLDDAZRU-UHFFFAOYSA-N
XLogP1.00
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

DB-02197
CID 5288527
7H-Adenine, N-(p-fluorophenyl)-
CID 51998
N-purin-6-ylaniline
CID 71029
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Sulfonamide deriv. 3e
CID 6539028
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10273854
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949704
CDK2 inhibitor 73
CID 123132899
4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
CID 137643315
(9-Methyl-9H-purin-6-yl)-phenyl-amine
CID 13439250

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide?
The IUPAC name of N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide (CID 54675470) is N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide is CNS(=O)(=O)c1cccc(Nc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide?
The InChIKey is ONVDHHGLDDAZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2S/c1-13-21(19,20)9-4-2-3-8(5-9)18-12-10-11(15-6-14-10)16-7-17-12/h2-7,13H,1H3,(H2,14,15,16,17,18).
What are the key properties of N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide?
N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide has a molecular weight of 304.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide is sourced from PubChem (CID 54675470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).