4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide

C17H14N6O2S — CID 126455838

IUPAC4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CN=[N+]=[N-])cc2)c2[nH]cc(C#N)c12
InChIInChI=1S/C17H14N6O2S/c1-11-2-7-15(17-16(11)13(8-18)10-20-17)22-26(24,25)14-5-3-12(4-6-14)9-21-23-19/h2-7,10,20,22H,9H2,1H3
InChIKeyOSSHJLMITRBVSF-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.96
Rot. Bonds5

About 4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide

4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide (PubChem CID 126455838) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
PubChem CID126455838
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CN=[N+]=[N-])cc2)c2[nH]cc(C#N)c12
InChIInChI=1S/C17H14N6O2S/c1-11-2-7-15(17-16(11)13(8-18)10-20-17)22-26(24,25)14-5-3-12(4-6-14)9-21-23-19/h2-7,10,20,22H,9H2,1H3
InChIKeyOSSHJLMITRBVSF-UHFFFAOYSA-N
XLogP3.96
TPSA134.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
CID 155116684
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
CID 174263047
1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid
CID 170332020
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-nitrobenzenesulfonamide
CID 147300883
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
CID 164863806
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
CID 164863649
benzyl N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoyl]-methylamino]carbamate
CID 166430256
methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 155116653
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193431
4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
CID 167807391
N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide
CID 174262180
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 171055436

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide (CID 126455838) is 4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CN=[N+]=[N-])cc2)c2[nH]cc(C#N)c12.
What is the InChIKey of 4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is OSSHJLMITRBVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-11-2-7-15(17-16(11)13(8-18)10-20-17)22-26(24,25)14-5-3-12(4-6-14)9-21-23-19/h2-7,10,20,22H,9H2,1H3.
What are the key properties of 4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide?
4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 126455838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).