(2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

C24H21ClN2O4S — CID 92670819

IUPAC(2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H21ClN2O4S/c1-15-12-19-13-18(24(29)26-21-5-3-4-17(14-21)16(2)28)6-11-23(19)27(15)32(30,31)22-9-7-20(25)8-10-22/h3-11,13-15H,12H2,1-2H3,(H,26,29)/t15-/m0/s1
InChIKeyHIDKILDJQDWRFM-HNNXBMFYSA-N
MW468.96 g/mol
LogP4.93
Rot. Bonds5

About (2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

(2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 92670819) has the molecular formula C24H21ClN2O4S and a molecular weight of 468.96 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
PubChem CID92670819
Molecular FormulaC24H21ClN2O4S
Molecular Weight468.96 g/mol
Exact Mass468.09
IUPAC Name(2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H21ClN2O4S/c1-15-12-19-13-18(24(29)26-21-5-3-4-17(14-21)16(2)28)6-11-23(19)27(15)32(30,31)22-9-7-20(25)8-10-22/h3-11,13-15H,12H2,1-2H3,(H,26,29)/t15-/m0/s1
InChIKeyHIDKILDJQDWRFM-HNNXBMFYSA-N
XLogP4.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670770
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670788
(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658
(2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671274
(2R)-N-(3-bromophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671170
(2R)-N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670778
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671162
(2S)-1-(4-chlorophenyl)sulfonyl-2-methyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 92670690
(2S)-1-(4-chlorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide
CID 92670717
(2R)-1-(4-chlorophenyl)sulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 93156124
(2R)-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671213
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (CID 92670819) is (2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is HIDKILDJQDWRFM-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H21ClN2O4S/c1-15-12-19-13-18(24(29)26-21-5-3-4-17(14-21)16(2)28)6-11-23(19)27(15)32(30,31)22-9-7-20(25)8-10-22/h3-11,13-15H,12H2,1-2H3,(H,26,29)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
(2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 468.96 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 92670819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).