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

C15H12N4O2S — CID 10852578

IUPAC4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3ccc(N)cc3)cccc12
InChIInChI=1S/C15H12N4O2S/c16-8-10-9-18-15-13(10)2-1-3-14(15)19-22(20,21)12-6-4-11(17)5-7-12/h1-7,9,18-19H,17H2
InChIKeyYBRBBZDQEYCGNU-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.42
Rot. Bonds3

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

4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide (PubChem CID 10852578) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide
PubChem CID10852578
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3ccc(N)cc3)cccc12
InChIInChI=1S/C15H12N4O2S/c16-8-10-9-18-15-13(10)2-1-3-14(15)19-22(20,21)12-6-4-11(17)5-7-12/h1-7,9,18-19H,17H2
InChIKeyYBRBBZDQEYCGNU-UHFFFAOYSA-N
XLogP2.42
TPSA111.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide (CID 10852578) is 4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide is N#Cc1c[nH]c2c(NS(=O)(=O)c3ccc(N)cc3)cccc12.
What is the InChIKey of 4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is YBRBBZDQEYCGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c16-8-10-9-18-15-13(10)2-1-3-14(15)19-22(20,21)12-6-4-11(17)5-7-12/h1-7,9,18-19H,17H2.
What are the key properties of 4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide?
4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide has a molecular weight of 312.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 10852578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).