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

C16H10N4O2S — CID 10591911

IUPAC3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)c1
InChIInChI=1S/C16H10N4O2S/c17-8-11-3-1-4-13(7-11)23(21,22)20-15-6-2-5-14-12(9-18)10-19-16(14)15/h1-7,10,19-20H
InChIKeyWRDMHPSIVRXFTD-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.71
Rot. Bonds3

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

3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide (PubChem CID 10591911) has the molecular formula C16H10N4O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide
PubChem CID10591911
Molecular FormulaC16H10N4O2S
Molecular Weight322.35 g/mol
Exact Mass322.05
IUPAC Name3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)c1
InChIInChI=1S/C16H10N4O2S/c17-8-11-3-1-4-13(7-11)23(21,22)20-15-6-2-5-14-12(9-18)10-19-16(14)15/h1-7,10,19-20H
InChIKeyWRDMHPSIVRXFTD-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 3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide (CID 10591911) is 3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)c1.
What is the InChIKey of 3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is WRDMHPSIVRXFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2S/c17-8-11-3-1-4-13(7-11)23(21,22)20-15-6-2-5-14-12(9-18)10-19-16(14)15/h1-7,10,19-20H.
What are the key properties of 3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide?
3-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 3-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 10591911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).