3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide

C13H16F2N2O3S — CID 62090446

IUPAC3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCCCC2)c1F
InChIInChI=1S/C13H16F2N2O3S/c14-9-5-6-10(21(16,19)20)12(15)11(9)13(18)17-7-3-1-2-4-8-17/h5-6H,1-4,7-8H2,(H2,16,19,20)
InChIKeyDHFIDCNGRIWEEX-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.63
Rot. Bonds2

About 3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide

3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide (PubChem CID 62090446) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide
PubChem CID62090446
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC Name3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCCCC2)c1F
InChIInChI=1S/C13H16F2N2O3S/c14-9-5-6-10(21(16,19)20)12(15)11(9)13(18)17-7-3-1-2-4-8-17/h5-6H,1-4,7-8H2,(H2,16,19,20)
InChIKeyDHFIDCNGRIWEEX-UHFFFAOYSA-N
XLogP1.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
CID 60875632
2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 65373779
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonamide
CID 65375980
(3-bromo-2-chloro-6-fluorophenyl)-piperidin-1-ylmethanone
CID 164894050
(2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone
CID 2169089
1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide
CID 79768262
(3-amino-2,6-difluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 79772968
(2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone
CID 107122901
2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 65373592
(4-methylpiperazin-1-yl)-(2,3,6-trifluorophenyl)methanone
CID 171368041
4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60876018
2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62091869

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide (CID 62090446) is 3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide is NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCCCC2)c1F.
What is the InChIKey of 3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is DHFIDCNGRIWEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c14-9-5-6-10(21(16,19)20)12(15)11(9)13(18)17-7-3-1-2-4-8-17/h5-6H,1-4,7-8H2,(H2,16,19,20).
What are the key properties of 3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide?
3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 318.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 62090446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).