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

C17H17BrN2O3S — CID 9188760

IUPAC(3R)-N-[(1S)-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-MNOVXSKESA-N
MW409.31 g/mol
LogP3.54
Rot. Bonds4

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

(3R)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9188760) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9188760
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC Name(3R)-N-[(1S)-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-MNOVXSKESA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3R)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9188760) is (3R)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3R)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3R)-N-[(1S)-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-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is YQPLGPDMGVSNLE-MNOVXSKESA-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-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3R)-N-[(1S)-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-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9188760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).