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

C24H24N2O4S — CID 43001237

IUPACN-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C24H24N2O4S/c1-29-23-13-12-18(14-24(23)30-2)31(27,28)26-16-20(17-8-4-3-5-9-17)21-15-25-22-11-7-6-10-19(21)22/h3-15,20,25-26H,16H2,1-2H3
InChIKeyQZWBYFNVQCPNEM-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.30
Rot. Bonds8

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

N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 43001237) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID43001237
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C24H24N2O4S/c1-29-23-13-12-18(14-24(23)30-2)31(27,28)26-16-20(17-8-4-3-5-9-17)21-15-25-22-11-7-6-10-19(21)22/h3-15,20,25-26H,16H2,1-2H3
InChIKeyQZWBYFNVQCPNEM-UHFFFAOYSA-N
XLogP4.30
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 55435875
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 42994892
N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 41090894
3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide
CID 42994894
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 40862796
N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 30328329
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide
CID 42942257
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-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide
CID 42937618
N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 42994767
1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92892882

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide (CID 43001237) is N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is QZWBYFNVQCPNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-29-23-13-12-18(14-24(23)30-2)31(27,28)26-16-20(17-8-4-3-5-9-17)21-15-25-22-11-7-6-10-19(21)22/h3-15,20,25-26H,16H2,1-2H3.
What are the key properties of N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide?
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 436.53 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 43001237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).