(3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide

C15H12F2N2O3S — CID 95318621

IUPAC(3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide
SMILESNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C15H12F2N2O3S/c16-12-6-5-9(7-13(12)17)23(21,22)19-8-11(15(18)20)10-3-1-2-4-14(10)19/h1-7,11H,8H2,(H2,18,20)/t11-/m0/s1
InChIKeyQBFUXGPVUYIWQL-NSHDSACASA-N
MW338.34 g/mol
LogP1.74
Rot. Bonds3

About (3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide

(3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide (PubChem CID 95318621) has the molecular formula C15H12F2N2O3S and a molecular weight of 338.34 g/mol. Its IUPAC name is (3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide
PubChem CID95318621
Molecular FormulaC15H12F2N2O3S
Molecular Weight338.34 g/mol
Exact Mass338.05
IUPAC Name(3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide
SMILESNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C15H12F2N2O3S/c16-12-6-5-9(7-13(12)17)23(21,22)19-8-11(15(18)20)10-3-1-2-4-14(10)19/h1-7,11H,8H2,(H2,18,20)/t11-/m0/s1
InChIKeyQBFUXGPVUYIWQL-NSHDSACASA-N
XLogP1.74
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 166050469
(3R)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2,3-dihydroindole-3-carboxylic acid
CID 95632093
1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole-3-carboxylic acid
CID 91643080
(3S)-1-(4-ethoxyphenyl)sulfonyl-2,3-dihydroindole-3-carboxylic acid
CID 95632088
4-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid
CID 95578840
4-[[(3R)-3-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid
CID 95578841
1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol
CID 19009089
5-(3,4-difluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine
CID 9167394
N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide
CID 140956943
methyl 4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 60534669
3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
CID 60534914
N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68769854

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide?
The IUPAC name of (3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide (CID 95318621) is (3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide?
The canonical SMILES for (3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide is NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2ccccc21.
What is the InChIKey of (3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide?
The InChIKey is QBFUXGPVUYIWQL-NSHDSACASA-N. The full InChI is InChI=1S/C15H12F2N2O3S/c16-12-6-5-9(7-13(12)17)23(21,22)19-8-11(15(18)20)10-3-1-2-4-14(10)19/h1-7,11H,8H2,(H2,18,20)/t11-/m0/s1.
What are the key properties of (3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide?
(3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,4-difluorophenyl)sulfonyl-2,3-dihydroindole-3-carboxamide is sourced from PubChem (CID 95318621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).