(3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C17H17BrN2O3S — CID 9188763

IUPAC(3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3S/c1-10-15-9-14(7-8-16(15)19-17(10)21)24(22,23)20-11(2)12-3-5-13(18)6-4-12/h3-11,20H,1-2H3,(H,19,21)/t10-,11-/m1/s1
InChIKeyYQPLGPDMGVSNLE-GHMZBOCLSA-N
MW409.31 g/mol
LogP3.54
Rot. Bonds4

About (3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

(3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9188763) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9188763
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC Name(3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3S/c1-10-15-9-14(7-8-16(15)19-17(10)21)24(22,23)20-11(2)12-3-5-13(18)6-4-12/h3-11,20H,1-2H3,(H,19,21)/t10-,11-/m1/s1
InChIKeyYQPLGPDMGVSNLE-GHMZBOCLSA-N
XLogP3.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188790
(3R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188708
(3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188900
(2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 9190126
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65189183
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9125333
methyl (2R,3S)-3-methyl-2-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]pentanoate
CID 9188460
4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868868
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868995
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9188763) is (3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is C[C@@H](NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2)c1ccc(Br)cc1.
What is the InChIKey of (3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is YQPLGPDMGVSNLE-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c1-10-15-9-14(7-8-16(15)19-17(10)21)24(22,23)20-11(2)12-3-5-13(18)6-4-12/h3-11,20H,1-2H3,(H,19,21)/t10-,11-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 409.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9188763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).