(2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide

C15H12Br2N2O3S — CID 60606488

IUPAC(2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H12Br2N2O3S/c16-10-5-6-11(17)14(8-10)23(21,22)19-12-4-2-1-3-9(12)7-13(19)15(18)20/h1-6,8,13H,7H2,(H2,18,20)/t13-/m0/s1
InChIKeyWHZAUSYQKCEAHL-ZDUSSCGKSA-N
MW460.15 g/mol
LogP2.82
Rot. Bonds3

About (2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide

(2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 60606488) has the molecular formula C15H12Br2N2O3S and a molecular weight of 460.15 g/mol. Its IUPAC name is (2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
PubChem CID60606488
Molecular FormulaC15H12Br2N2O3S
Molecular Weight460.15 g/mol
Exact Mass457.89
IUPAC Name(2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H12Br2N2O3S/c16-10-5-6-11(17)14(8-10)23(21,22)19-12-4-2-1-3-9(12)7-13(19)15(18)20/h1-6,8,13H,7H2,(H2,18,20)/t13-/m0/s1
InChIKeyWHZAUSYQKCEAHL-ZDUSSCGKSA-N
XLogP2.82
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.15
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 16831405
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 60606512
1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4986555
1-hydroxy-2,3-dihydroindole-2-carboxamide
CID 154385524
1-(2,5-dibromophenyl)sulfonylazetidin-3-ol
CID 63106090
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 102554077
(2R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 99635051
(2S)-1-[2-[(2-aminophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
CID 68884030
(2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
CID 100855396
1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol
CID 43394309
(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide (CID 60606488) is (2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide is NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of (2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is WHZAUSYQKCEAHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H12Br2N2O3S/c16-10-5-6-11(17)14(8-10)23(21,22)19-12-4-2-1-3-9(12)7-13(19)15(18)20/h1-6,8,13H,7H2,(H2,18,20)/t13-/m0/s1.
What are the key properties of (2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 460.15 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 60606488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).