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

C17H16F2N2O3S — CID 9188790

IUPAC(3R)-N-[(1R)-1-(3,4-difluorophenyl)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(F)c(F)c1
InChIInChI=1S/C17H16F2N2O3S/c1-9-13-8-12(4-6-16(13)20-17(9)22)25(23,24)21-10(2)11-3-5-14(18)15(19)7-11/h3-10,21H,1-2H3,(H,20,22)/t9-,10-/m1/s1
InChIKeyIFBWWEOFIZNIAL-NXEZZACHSA-N
MW366.39 g/mol
LogP3.06
Rot. Bonds4

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

(3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9188790) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9188790
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name(3R)-N-[(1R)-1-(3,4-difluorophenyl)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(F)c(F)c1
InChIInChI=1S/C17H16F2N2O3S/c1-9-13-8-12(4-6-16(13)20-17(9)22)25(23,24)21-10(2)11-3-5-14(18)15(19)7-11/h3-10,21H,1-2H3,(H,20,22)/t9-,10-/m1/s1
InChIKeyIFBWWEOFIZNIAL-NXEZZACHSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188763
(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
methyl (2R,3S)-3-methyl-2-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]pentanoate
CID 9188460
N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 78686890
(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9125333
5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide
CID 46406560
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-difluorobenzenesulfonamide
CID 9356151
2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 66165853

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9188790) is (3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3R)-N-[(1R)-1-(3,4-difluorophenyl)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(F)c(F)c1.
What is the InChIKey of (3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is IFBWWEOFIZNIAL-NXEZZACHSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c1-9-13-8-12(4-6-16(13)20-17(9)22)25(23,24)21-10(2)11-3-5-14(18)15(19)7-11/h3-10,21H,1-2H3,(H,20,22)/t9-,10-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 366.39 g/mol, XLogP of 3.06, 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-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9188790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).