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

C23H22N2O2S — CID 24825382

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)c1
InChIInChI=1S/C23H22N2O2S/c1-17-5-4-6-19(15-17)18-9-11-21(12-10-18)28(26,27)25-14-13-20-16-24-23-8-3-2-7-22(20)23/h2-12,15-16,24-25H,13-14H2,1H3
InChIKeyNKYYBYXPJLRLBB-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.66
Rot. Bonds6

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

N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide (PubChem CID 24825382) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide
PubChem CID24825382
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)c1
InChIInChI=1S/C23H22N2O2S/c1-17-5-4-6-19(15-17)18-9-11-21(12-10-18)28(26,27)25-14-13-20-16-24-23-8-3-2-7-22(20)23/h2-12,15-16,24-25H,13-14H2,1H3
InChIKeyNKYYBYXPJLRLBB-UHFFFAOYSA-N
XLogP4.66
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide (CID 24825382) is N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide is Cc1cccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide?
The InChIKey is NKYYBYXPJLRLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-17-5-4-6-19(15-17)18-9-11-21(12-10-18)28(26,27)25-14-13-20-16-24-23-8-3-2-7-22(20)23/h2-12,15-16,24-25H,13-14H2,1H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide?
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 24825382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).