4-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide

C21H18N2O2S — CID 10406349

IUPAC4-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H18N2O2S/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)23-21(20)16-10-12-17(13-11-16)26(22,24)25/h2-13,23H,1H3,(H2,22,24,25)
InChIKeyZXUOLRALFCWKSB-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.46
Rot. Bonds3

About 4-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide

4-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide (PubChem CID 10406349) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide
PubChem CID10406349
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name4-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H18N2O2S/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)23-21(20)16-10-12-17(13-11-16)26(22,24)25/h2-13,23H,1H3,(H2,22,24,25)
InChIKeyZXUOLRALFCWKSB-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-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide (CID 10406349) is 4-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide is Cc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide?
The InChIKey is ZXUOLRALFCWKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)23-21(20)16-10-12-17(13-11-16)26(22,24)25/h2-13,23H,1H3,(H2,22,24,25).
What are the key properties of 4-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide?
4-[3-(4-methylphenyl)-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-[3-(4-methylphenyl)-1H-indol-2-yl]benzenesulfonamide is sourced from PubChem (CID 10406349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).