(2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

C18H18Cl2N2O3S — CID 92670982

IUPAC(2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESCCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C[C@@H]1C
InChIInChI=1S/C18H18Cl2N2O3S/c1-3-26(24,25)22-11(2)6-13-7-12(4-5-17(13)22)18(23)21-16-9-14(19)8-15(20)10-16/h4-5,7-11H,3,6H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyHRVPSHBWERKRGD-NSHDSACASA-N
MW413.33 g/mol
LogP4.35
Rot. Bonds4

About (2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

(2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 92670982) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is (2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
PubChem CID92670982
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name(2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESCCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C[C@@H]1C
InChIInChI=1S/C18H18Cl2N2O3S/c1-3-26(24,25)22-11(2)6-13-7-12(4-5-17(13)22)18(23)21-16-9-14(19)8-15(20)10-16/h4-5,7-11H,3,6H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyHRVPSHBWERKRGD-NSHDSACASA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
(2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671018
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670788
(2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670961
(2S)-1-ethylsulfonyl-2-methyl-N-(3-nitrophenyl)-2,3-dihydroindole-5-carboxamide
CID 92671015
(2R)-N-butyl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670891
(2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 92671060
(2S)-N-(2,4-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452610
(2S)-N-(4-chloro-2-fluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777424
(2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671081
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2R)-N-(3,5-dimethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 33142626

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (CID 92670982) is (2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is CCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C[C@@H]1C.
What is the InChIKey of (2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is HRVPSHBWERKRGD-NSHDSACASA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-3-26(24,25)22-11(2)6-13-7-12(4-5-17(13)22)18(23)21-16-9-14(19)8-15(20)10-16/h4-5,7-11H,3,6H2,1-2H3,(H,21,23)/t11-/m0/s1.
What are the key properties of (2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
(2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 413.33 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 92670982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).