(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

C22H18BrClN2O3S — CID 92670770

IUPAC(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)Nc3cccc(Br)c3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18BrClN2O3S/c1-14-11-16-12-15(22(27)25-19-4-2-3-17(23)13-19)5-10-21(16)26(14)30(28,29)20-8-6-18(24)7-9-20/h2-10,12-14H,11H2,1H3,(H,25,27)/t14-/m1/s1
InChIKeySSSDBVMUDDSGDP-CQSZACIVSA-N
MW505.82 g/mol
LogP5.49
Rot. Bonds4

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

(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 92670770) has the molecular formula C22H18BrClN2O3S and a molecular weight of 505.82 g/mol. Its IUPAC name is (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
PubChem CID92670770
Molecular FormulaC22H18BrClN2O3S
Molecular Weight505.82 g/mol
Exact Mass503.99
IUPAC Name(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)Nc3cccc(Br)c3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18BrClN2O3S/c1-14-11-16-12-15(22(27)25-19-4-2-3-17(23)13-19)5-10-21(16)26(14)30(28,29)20-8-6-18(24)7-9-20/h2-10,12-14H,11H2,1H3,(H,25,27)/t14-/m1/s1
InChIKeySSSDBVMUDDSGDP-CQSZACIVSA-N
XLogP5.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.82
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670819
(2R)-N-(3-bromophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671170
(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)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671274
(2R)-N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670778
5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239520
(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)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658
(2R)-1-(4-chlorophenyl)sulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 93156124

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (CID 92670770) is (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is C[C@@H]1Cc2cc(C(=O)Nc3cccc(Br)c3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is SSSDBVMUDDSGDP-CQSZACIVSA-N. The full InChI is InChI=1S/C22H18BrClN2O3S/c1-14-11-16-12-15(22(27)25-19-4-2-3-17(23)13-19)5-10-21(16)26(14)30(28,29)20-8-6-18(24)7-9-20/h2-10,12-14H,11H2,1H3,(H,25,27)/t14-/m1/s1.
What are the key properties of (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 505.82 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 92670770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).