5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride

C13H14Cl2FNO3S — CID 65367301

IUPAC5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCN(C(=O)c2cc(Cl)cc(S(=O)(=O)Cl)c2F)CC1
InChIInChI=1S/C13H14Cl2FNO3S/c1-8-2-4-17(5-3-8)13(18)10-6-9(14)7-11(12(10)16)21(15,19)20/h6-8H,2-5H2,1H3
InChIKeyOHRJDFOVOYVQDP-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.28
Rot. Bonds2

About 5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride

5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65367301) has the molecular formula C13H14Cl2FNO3S and a molecular weight of 354.23 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65367301
Molecular FormulaC13H14Cl2FNO3S
Molecular Weight354.23 g/mol
Exact Mass353.01
IUPAC Name5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCN(C(=O)c2cc(Cl)cc(S(=O)(=O)Cl)c2F)CC1
InChIInChI=1S/C13H14Cl2FNO3S/c1-8-2-4-17(5-3-8)13(18)10-6-9(14)7-11(12(10)16)21(15,19)20/h6-8H,2-5H2,1H3
InChIKeyOHRJDFOVOYVQDP-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

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Related Compounds

5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 82878062
2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367201
4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 81454088
5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide
CID 79179811
3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65366949
5-chloro-2-fluoro-3-(4-methylcyclohexyl)sulfonylbenzoic acid
CID 64748338
5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65367050
[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067209
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonyl chloride
CID 65368024
3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 63660557

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (CID 65367301) is 5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is CC1CCN(C(=O)c2cc(Cl)cc(S(=O)(=O)Cl)c2F)CC1.
What is the InChIKey of 5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is OHRJDFOVOYVQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FNO3S/c1-8-2-4-17(5-3-8)13(18)10-6-9(14)7-11(12(10)16)21(15,19)20/h6-8H,2-5H2,1H3.
What are the key properties of 5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
5-chloro-2-fluoro-3-(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 5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65367301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).