3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide

C12H14ClFN2O3S — CID 47203331

IUPAC3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFN2O3S/c13-8-4-3-6-10(11(8)14)20(18,19)16-9-5-1-2-7-15-12(9)17/h3-4,6,9,16H,1-2,5,7H2,(H,15,17)
InChIKeyOQXGGPLPRRUYNC-UHFFFAOYSA-N
MW320.77 g/mol
LogP1.43
Rot. Bonds3

About 3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide

3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide (PubChem CID 47203331) has the molecular formula C12H14ClFN2O3S and a molecular weight of 320.77 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide
PubChem CID47203331
Molecular FormulaC12H14ClFN2O3S
Molecular Weight320.77 g/mol
Exact Mass320.04
IUPAC Name3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFN2O3S/c13-8-4-3-6-10(11(8)14)20(18,19)16-9-5-1-2-7-15-12(9)17/h3-4,6,9,16H,1-2,5,7H2,(H,15,17)
InChIKeyOQXGGPLPRRUYNC-UHFFFAOYSA-N
XLogP1.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979852
2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979851
5-fluoro-2-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 6976095
3-(2,6-dichloroanilino)azepan-2-one
CID 65469586
2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457104
3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62492333
5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide
CID 25042934
3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457165
2-[(4-cyano-2-fluorophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 69492013
5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide
CID 51891623
4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49149515
4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116528562

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide (CID 47203331) is 3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide is O=C1NCCCCC1NS(=O)(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide?
The InChIKey is OQXGGPLPRRUYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3S/c13-8-4-3-6-10(11(8)14)20(18,19)16-9-5-1-2-7-15-12(9)17/h3-4,6,9,16H,1-2,5,7H2,(H,15,17).
What are the key properties of 3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide?
3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide has a molecular weight of 320.77 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide is sourced from PubChem (CID 47203331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).