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

C13H15Cl2NO3S — CID 65369073

IUPAC3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCCCN1C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H15Cl2NO3S/c1-9-4-2-3-5-16(9)13(17)10-6-11(14)8-12(7-10)20(15,18)19/h6-9H,2-5H2,1H3
InChIKeyWHZMQYTZBYKHNX-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.28
Rot. Bonds2

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

3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65369073) has the molecular formula C13H15Cl2NO3S and a molecular weight of 336.24 g/mol. Its IUPAC name is 3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65369073
Molecular FormulaC13H15Cl2NO3S
Molecular Weight336.24 g/mol
Exact Mass335.01
IUPAC Name3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCCCN1C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H15Cl2NO3S/c1-9-4-2-3-5-16(9)13(17)10-6-11(14)8-12(7-10)20(15,18)19/h6-9H,2-5H2,1H3
InChIKeyWHZMQYTZBYKHNX-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-chlorophenyl)-(2-methylazepan-1-yl)methanone
CID 114019994
3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65366949
[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94071084
1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 65366871
3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65368363
5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonyl chloride
CID 65366989
4-bromo-3-(2-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397267
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
2,6-dichloro-4-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 94861983
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 8502446

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (CID 65369073) is 3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is CC1CCCCN1C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is WHZMQYTZBYKHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3S/c1-9-4-2-3-5-16(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-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 336.24 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 3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65369073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).