(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).