4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride

C12H13ClFNO3S — CID 65367295

IUPAC4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(S(=O)(=O)Cl)ccc1F)N1CCCCC1
InChIInChI=1S/C12H13ClFNO3S/c13-19(17,18)9-4-5-11(14)10(8-9)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKeyHKGMNEOEEYOYCI-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.38
Rot. Bonds2

About 4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride

4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65367295) has the molecular formula C12H13ClFNO3S and a molecular weight of 305.76 g/mol. Its IUPAC name is 4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65367295
Molecular FormulaC12H13ClFNO3S
Molecular Weight305.76 g/mol
Exact Mass305.03
IUPAC Name4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(S(=O)(=O)Cl)ccc1F)N1CCCCC1
InChIInChI=1S/C12H13ClFNO3S/c13-19(17,18)9-4-5-11(14)10(8-9)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKeyHKGMNEOEEYOYCI-UHFFFAOYSA-N
XLogP2.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride 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

azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride
CID 65370983
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
2-(azepane-1-carbonyl)-4-fluorobenzenesulfonyl chloride
CID 60876776
3-acetyl-4-fluorobenzenesulfonyl chloride
CID 43118906
3-[(4R)-4-aminoazepane-1-carbonyl]-4-fluorobenzenesulfonamide
CID 95716407
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862
1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 126773133
4-chloro-3-(4-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397242
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
3-(azepane-1-carbonyl)-4-chloro-N-(4-fluorophenyl)benzenesulfonamide
CID 31619015
4-chloro-3-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 46478927

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride (CID 65367295) is 4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride is O=C(c1cc(S(=O)(=O)Cl)ccc1F)N1CCCCC1.
What is the InChIKey of 4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is HKGMNEOEEYOYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3S/c13-19(17,18)9-4-5-11(14)10(8-9)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2.
What are the key properties of 4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride?
4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 305.76 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65367295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).