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

C13H15Cl2NO3S — CID 65366949

IUPAC3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCN(C(=O)c2cc(Cl)cc(S(=O)(=O)Cl)c2)CC1
InChIInChI=1S/C13H15Cl2NO3S/c1-9-2-4-16(5-3-9)13(17)10-6-11(14)8-12(7-10)20(15,18)19/h6-9H,2-5H2,1H3
InChIKeyIQCJGOGGZVLPLL-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.14
Rot. Bonds2

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

3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65366949) has the molecular formula C13H15Cl2NO3S and a molecular weight of 336.24 g/mol. Its IUPAC name is 3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65366949
Molecular FormulaC13H15Cl2NO3S
Molecular Weight336.24 g/mol
Exact Mass335.01
IUPAC Name3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCN(C(=O)c2cc(Cl)cc(S(=O)(=O)Cl)c2)CC1
InChIInChI=1S/C13H15Cl2NO3S/c1-9-2-4-16(5-3-9)13(17)10-6-11(14)8-12(7-10)20(15,18)19/h6-9H,2-5H2,1H3
InChIKeyIQCJGOGGZVLPLL-UHFFFAOYSA-N
XLogP3.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369073
4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 81454088
5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367301
3-(4-methoxypiperidine-1-carbonyl)-5-methylbenzenesulfonyl chloride
CID 65372090
3-bromo-5-(4-ethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65370791
4-chloro-3-(4-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397242
3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 63660557
2,3-dimethyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65372321
(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 26773669
(3-amino-5-methylsulfonylphenyl)-(4-methylazepan-1-yl)methanone
CID 63623305
[5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227164

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (CID 65366949) is 3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is CC1CCN(C(=O)c2cc(Cl)cc(S(=O)(=O)Cl)c2)CC1.
What is the InChIKey of 3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is IQCJGOGGZVLPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3S/c1-9-2-4-16(5-3-9)13(17)10-6-11(14)8-12(7-10)20(15,18)19/h6-9H,2-5H2,1H3.
What are the key properties of 3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 336.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65366949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).