N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide

C23H22N2O2S — CID 42994892

IUPACN-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H22N2O2S/c1-17-11-13-19(14-12-17)28(26,27)25-16-21(18-7-3-2-4-8-18)22-15-24-23-10-6-5-9-20(22)23/h2-15,21,24-25H,16H2,1H3
InChIKeyAZJYEIZEQMXZSM-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.59
Rot. Bonds6

About N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide

N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide (PubChem CID 42994892) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
PubChem CID42994892
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H22N2O2S/c1-17-11-13-19(14-12-17)28(26,27)25-16-21(18-7-3-2-4-8-18)22-15-24-23-10-6-5-9-20(22)23/h2-15,21,24-25H,16H2,1H3
InChIKeyAZJYEIZEQMXZSM-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide
CID 101158082
N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide
CID 110293010
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 43001237
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 40862796
3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide
CID 42994894
N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 42994767
N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 41090894
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 55435875
4-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 40818667
N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 163217184
4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 24599838
N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 30328329

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide (CID 42994892) is N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide?
The InChIKey is AZJYEIZEQMXZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-17-11-13-19(14-12-17)28(26,27)25-16-21(18-7-3-2-4-8-18)22-15-24-23-10-6-5-9-20(22)23/h2-15,21,24-25H,16H2,1H3.
What are the key properties of N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide?
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 4.59, 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)-2-phenylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 42994892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).