4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride

C13H14Cl2FNO3S — CID 81454088

IUPAC4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCN(C(=O)c2cc(S(=O)(=O)Cl)cc(F)c2Cl)CC1
InChIInChI=1S/C13H14Cl2FNO3S/c1-8-2-4-17(5-3-8)13(18)10-6-9(21(15,19)20)7-11(16)12(10)14/h6-8H,2-5H2,1H3
InChIKeyMKPMYLZFGJTARK-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.28
Rot. Bonds2

About 4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride

4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 81454088) has the molecular formula C13H14Cl2FNO3S and a molecular weight of 354.23 g/mol. Its IUPAC name is 4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID81454088
Molecular FormulaC13H14Cl2FNO3S
Molecular Weight354.23 g/mol
Exact Mass353.01
IUPAC Name4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCN(C(=O)c2cc(S(=O)(=O)Cl)cc(F)c2Cl)CC1
InChIInChI=1S/C13H14Cl2FNO3S/c1-8-2-4-17(5-3-8)13(18)10-6-9(21(15,19)20)7-11(16)12(10)14/h6-8H,2-5H2,1H3
InChIKeyMKPMYLZFGJTARK-UHFFFAOYSA-N
XLogP3.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-fluoro-5-(4-methylpiperidine-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

4-chloro-3-(4-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397242
5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367301
4-chloro-3-(2-ethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonyl chloride
CID 81454897
3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65366949
3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 103540928
(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 593464
2-chloro-3-fluoro-5-(4-methylcyclohexyl)sulfonylbenzoic acid
CID 81451741
2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367201
3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride
CID 65370983
cyclobutyl 2-chloro-5-chlorosulfonyl-3-fluorobenzoate
CID 81454114
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 81453179

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (CID 81454088) is 4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is CC1CCN(C(=O)c2cc(S(=O)(=O)Cl)cc(F)c2Cl)CC1.
What is the InChIKey of 4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is MKPMYLZFGJTARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FNO3S/c1-8-2-4-17(5-3-8)13(18)10-6-9(21(15,19)20)7-11(16)12(10)14/h6-8H,2-5H2,1H3.
What are the key properties of 4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 354.23 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 81454088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).