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

C16H10N4O2S — CID 10615801

IUPAC2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1cccc2c(C#N)c[nH]c12
InChIInChI=1S/C16H10N4O2S/c17-8-11-4-1-2-7-15(11)23(21,22)20-14-6-3-5-13-12(9-18)10-19-16(13)14/h1-7,10,19-20H
InChIKeySTQRYIZGSNHMEU-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.71
Rot. Bonds3

About 2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide

2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide (PubChem CID 10615801) has the molecular formula C16H10N4O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide
PubChem CID10615801
Molecular FormulaC16H10N4O2S
Molecular Weight322.35 g/mol
Exact Mass322.05
IUPAC Name2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1cccc2c(C#N)c[nH]c12
InChIInChI=1S/C16H10N4O2S/c17-8-11-4-1-2-7-15(11)23(21,22)20-14-6-3-5-13-12(9-18)10-19-16(13)14/h1-7,10,19-20H
InChIKeySTQRYIZGSNHMEU-UHFFFAOYSA-N
XLogP2.71
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide (CID 10615801) is 2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)Nc1cccc2c(C#N)c[nH]c12.
What is the InChIKey of 2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is STQRYIZGSNHMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2S/c17-8-11-4-1-2-7-15(11)23(21,22)20-14-6-3-5-13-12(9-18)10-19-16(13)14/h1-7,10,19-20H.
What are the key properties of 2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide?
2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 10615801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).