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

C13H15Cl2NO3S — CID 63660557

IUPAC3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCN(C(=O)c2c(Cl)cccc2S(=O)(=O)Cl)CC1
InChIInChI=1S/C13H15Cl2NO3S/c1-9-5-7-16(8-6-9)13(17)12-10(14)3-2-4-11(12)20(15,18)19/h2-4,9H,5-8H2,1H3
InChIKeySLNMLYZWIRRIHT-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.14
Rot. Bonds2

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

3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 63660557) has the molecular formula C13H15Cl2NO3S and a molecular weight of 336.24 g/mol. Its IUPAC name is 3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID63660557
Molecular FormulaC13H15Cl2NO3S
Molecular Weight336.24 g/mol
Exact Mass335.01
IUPAC Name3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCN(C(=O)c2c(Cl)cccc2S(=O)(=O)Cl)CC1
InChIInChI=1S/C13H15Cl2NO3S/c1-9-5-7-16(8-6-9)13(17)12-10(14)3-2-4-11(12)20(15,18)19/h2-4,9H,5-8H2,1H3
InChIKeySLNMLYZWIRRIHT-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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonyl chloride
CID 115559847
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367301
5-[(4-methylpiperidine-1-carbonyl)amino]naphthalene-1-sulfonyl chloride
CID 2760042
3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65366949
(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 26773669
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide
CID 115561055
4-chloro-3-(4-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397242
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 81454088
5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 82878062

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (CID 63660557) is 3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is CC1CCN(C(=O)c2c(Cl)cccc2S(=O)(=O)Cl)CC1.
What is the InChIKey of 3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is SLNMLYZWIRRIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3S/c1-9-5-7-16(8-6-9)13(17)12-10(14)3-2-4-11(12)20(15,18)19/h2-4,9H,5-8H2,1H3.
What are the key properties of 3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
3-chloro-2-(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-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 63660557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).