N-(1H-indol-7-yl)-4-methylbenzenesulfonamide

C15H14N2O2S — CID 10636955

IUPACN-(1H-indol-7-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C15H14N2O2S/c1-11-5-7-13(8-6-11)20(18,19)17-14-4-2-3-12-9-10-16-15(12)14/h2-10,16-17H,1H3
InChIKeyWVHPRRFRSLNGNB-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.28
Rot. Bonds3

About N-(1H-indol-7-yl)-4-methylbenzenesulfonamide

N-(1H-indol-7-yl)-4-methylbenzenesulfonamide (PubChem CID 10636955) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(1H-indol-7-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indol-7-yl)-4-methylbenzenesulfonamide
PubChem CID10636955
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(1H-indol-7-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C15H14N2O2S/c1-11-5-7-13(8-6-11)20(18,19)17-14-4-2-3-12-9-10-16-15(12)14/h2-10,16-17H,1H3
InChIKeyWVHPRRFRSLNGNB-UHFFFAOYSA-N
XLogP3.28
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1H-indol-7-yl)-4-methylbenzenesulfonamide (CID 10636955) is N-(1H-indol-7-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-indol-7-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-indol-7-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1.
What is the InChIKey of N-(1H-indol-7-yl)-4-methylbenzenesulfonamide?
The InChIKey is WVHPRRFRSLNGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-5-7-13(8-6-11)20(18,19)17-14-4-2-3-12-9-10-16-15(12)14/h2-10,16-17H,1H3.
What are the key properties of N-(1H-indol-7-yl)-4-methylbenzenesulfonamide?
N-(1H-indol-7-yl)-4-methylbenzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 10636955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).