4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride

C14H17Cl2NO3S — CID 65397198

IUPAC4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCCN(C(=O)c2cc(S(=O)(=O)Cl)ccc2Cl)C1C
InChIInChI=1S/C14H17Cl2NO3S/c1-9-4-3-7-17(10(9)2)14(18)12-8-11(21(16,19)20)5-6-13(12)15/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeySVMLQKCSIXNYCO-UHFFFAOYSA-N
MW350.27 g/mol
LogP3.53
Rot. Bonds2

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

4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65397198) has the molecular formula C14H17Cl2NO3S and a molecular weight of 350.27 g/mol. Its IUPAC name is 4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65397198
Molecular FormulaC14H17Cl2NO3S
Molecular Weight350.27 g/mol
Exact Mass349.03
IUPAC Name4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCCN(C(=O)c2cc(S(=O)(=O)Cl)ccc2Cl)C1C
InChIInChI=1S/C14H17Cl2NO3S/c1-9-4-3-7-17(10(9)2)14(18)12-8-11(21(16,19)20)5-6-13(12)15/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeySVMLQKCSIXNYCO-UHFFFAOYSA-N
XLogP3.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(4-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397242
3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide
CID 62124684
4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65376127
(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123342
(3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 66482590
4-bromo-3-(2-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397267
(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122988
(2S)-1-[2-chloro-5-(diethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 41273093
4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 55331996
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438
(2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 62122713
4-chloro-N,N-dimethyl-3-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 55675965

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride (CID 65397198) is 4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride is CC1CCCN(C(=O)c2cc(S(=O)(=O)Cl)ccc2Cl)C1C.
What is the InChIKey of 4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is SVMLQKCSIXNYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3S/c1-9-4-3-7-17(10(9)2)14(18)12-8-11(21(16,19)20)5-6-13(12)15/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride?
4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 350.27 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65397198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).