3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide

C16H14F2N2O3S — CID 112506190

IUPAC3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
SMILESCS(=O)(=O)N1CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C16H14F2N2O3S/c1-24(22,23)20-7-6-10-8-12(3-5-15(10)20)19-16(21)11-2-4-13(17)14(18)9-11/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyJCCSYJNBUSSAFL-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.54
Rot. Bonds3

About 3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide

3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide (PubChem CID 112506190) has the molecular formula C16H14F2N2O3S and a molecular weight of 352.36 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
PubChem CID112506190
Molecular FormulaC16H14F2N2O3S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC Name3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
SMILESCS(=O)(=O)N1CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C16H14F2N2O3S/c1-24(22,23)20-7-6-10-8-12(3-5-15(10)20)19-16(21)11-2-4-13(17)14(18)9-11/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyJCCSYJNBUSSAFL-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 2987467
N-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38559127
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444
1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389850
1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 27160936
1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide
CID 9361204
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8819662
N-(4-methyl-3-nitrophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200214
2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657910

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide (CID 112506190) is 3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide is CS(=O)(=O)N1CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21.
What is the InChIKey of 3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?
The InChIKey is JCCSYJNBUSSAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3S/c1-24(22,23)20-7-6-10-8-12(3-5-15(10)20)19-16(21)11-2-4-13(17)14(18)9-11/h2-5,8-9H,6-7H2,1H3,(H,19,21).
What are the key properties of 3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide has a molecular weight of 352.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide is sourced from PubChem (CID 112506190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).