N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide

C24H24N2O4S — CID 41090894

IUPACN-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1cccc([C@@H](CNS(=O)(=O)c2ccccc2)c2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C24H24N2O4S/c1-29-23-14-8-12-19(24(23)30-2)21(20-15-25-22-13-7-6-11-18(20)22)16-26-31(27,28)17-9-4-3-5-10-17/h3-15,21,25-26H,16H2,1-2H3/t21-/m1/s1
InChIKeyNDUUEYSGJNYZRV-OAQYLSRUSA-N
MW436.53 g/mol
LogP4.30
Rot. Bonds8

About N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide

N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 41090894) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID41090894
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1cccc([C@@H](CNS(=O)(=O)c2ccccc2)c2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C24H24N2O4S/c1-29-23-14-8-12-19(24(23)30-2)21(20-15-25-22-13-7-6-11-18(20)22)16-26-31(27,28)17-9-4-3-5-10-17/h3-15,21,25-26H,16H2,1-2H3/t21-/m1/s1
InChIKeyNDUUEYSGJNYZRV-OAQYLSRUSA-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-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2,4-difluorobenzenesulfonamide
CID 30328831
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 55435875
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 43001237
methyl (2S)-2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]propanoate
CID 8645460
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119681775
(2S)-2-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1H-indol-3-yl)ethanamine
CID 8645493
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]pentanamide
CID 43003960
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 42909131
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide
CID 60589031
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]cyclopentanecarboxamide
CID 51158225
2-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983696
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 42994892

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide (CID 41090894) is N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide is COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2)c2c[nH]c3ccccc23)c1OC.
What is the InChIKey of N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is NDUUEYSGJNYZRV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-29-23-14-8-12-19(24(23)30-2)21(20-15-25-22-13-7-6-11-18(20)22)16-26-31(27,28)17-9-4-3-5-10-17/h3-15,21,25-26H,16H2,1-2H3/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide 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-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 41090894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).