4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide

C21H18N2O2S — CID 22285784

IUPAC4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide
SMILESCc1ccc2[nH]c(-c3ccc(S(N)(=O)=O)cc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C21H18N2O2S/c1-14-7-12-19-18(13-14)20(15-5-3-2-4-6-15)21(23-19)16-8-10-17(11-9-16)26(22,24)25/h2-13,23H,1H3,(H2,22,24,25)
InChIKeyWLEHIXRTLHNISS-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.46
Rot. Bonds3

About 4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide

4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide (PubChem CID 22285784) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide
PubChem CID22285784
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide
SMILESCc1ccc2[nH]c(-c3ccc(S(N)(=O)=O)cc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C21H18N2O2S/c1-14-7-12-19-18(13-14)20(15-5-3-2-4-6-15)21(23-19)16-8-10-17(11-9-16)26(22,24)25/h2-13,23H,1H3,(H2,22,24,25)
InChIKeyWLEHIXRTLHNISS-UHFFFAOYSA-N
XLogP4.46
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide (CID 22285784) is 4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide is Cc1ccc2[nH]c(-c3ccc(S(N)(=O)=O)cc3)c(-c3ccccc3)c2c1.
What is the InChIKey of 4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide?
The InChIKey is WLEHIXRTLHNISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-14-7-12-19-18(13-14)20(15-5-3-2-4-6-15)21(23-19)16-8-10-17(11-9-16)26(22,24)25/h2-13,23H,1H3,(H2,22,24,25).
What are the key properties of 4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide?
4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonamide is sourced from PubChem (CID 22285784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).