N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide

C13H15F3N2O3S — CID 2738671

IUPACN-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)9-4-3-5-10(8-9)22(20,21)18-11-6-1-2-7-17-12(11)19/h3-5,8,11,18H,1-2,6-7H2,(H,17,19)
InChIKeyUYUBQMNQHVLSJV-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.65
Rot. Bonds3

About N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2738671) has the molecular formula C13H15F3N2O3S and a molecular weight of 336.34 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2738671
Molecular FormulaC13H15F3N2O3S
Molecular Weight336.34 g/mol
Exact Mass336.08
IUPAC NameN-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)9-4-3-5-10(8-9)22(20,21)18-11-6-1-2-7-17-12(11)19/h3-5,8,11,18H,1-2,6-7H2,(H,17,19)
InChIKeyUYUBQMNQHVLSJV-UHFFFAOYSA-N
XLogP1.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide 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-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 2738684
4-cyano-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 2805755
N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 2813201
2,2-Dimethyl-N-[1-(3-trifluoromethyl-benzenesulfonyl)-piperidin-4-yl]-propionamide
CID 646229
N~1~-cycloheptyl-N~2~-[(4-methylphenyl)sulfonyl]alaninamide
CID 2948474
N-[2-(4-Sulfamoylphenyl)ethyl]perfluorononanamide
CID 10841903
N-[(3R)-2-oxoazepan-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 44443999
4-fluoro-N-[(3R)-2-oxoazepan-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 44444004
3,4-difluoro-N-(2-oxo-3-azepanyl)benzenesulfonamide
CID 2738662
N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 4784487
N-cyclopropyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 4788234
4-Methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide
CID 3803592

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 2738671) is N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide is O=C1NCCCCC1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UYUBQMNQHVLSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3S/c14-13(15,16)9-4-3-5-10(8-9)22(20,21)18-11-6-1-2-7-17-12(11)19/h3-5,8,11,18H,1-2,6-7H2,(H,17,19).
What are the key properties of N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 336.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2738671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).