3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide

C12H15ClN2O3S — CID 78802366

IUPAC3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC2)c1
InChIInChI=1S/C12H15ClN2O3S/c1-14(2)19(17,18)9-4-5-11(13)10(8-9)12(16)15-6-3-7-15/h4-5,8H,3,6-7H2,1-2H3
InChIKeyKFKFOQOIEAUFER-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.44
Rot. Bonds3

About 3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide

3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide (PubChem CID 78802366) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
PubChem CID78802366
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC2)c1
InChIInChI=1S/C12H15ClN2O3S/c1-14(2)19(17,18)9-4-5-11(13)10(8-9)12(16)15-6-3-7-15/h4-5,8H,3,6-7H2,1-2H3
InChIKeyKFKFOQOIEAUFER-UHFFFAOYSA-N
XLogP1.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 46478927
3-(azocane-1-carbonyl)-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 51145580
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 42924913
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862
4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 43070690
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4-chloro-N,N-dimethylbenzenesulfonamide
CID 2427761
(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769687
4-chloro-N,N-dimethyl-3-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 55675965
3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
CID 24983157
ethyl 4-[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 36861151

Frequently Asked Questions

What is the IUPAC name of 3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide (CID 78802366) is 3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC2)c1.
What is the InChIKey of 3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide?
The InChIKey is KFKFOQOIEAUFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-14(2)19(17,18)9-4-5-11(13)10(8-9)12(16)15-6-3-7-15/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide?
3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide has a molecular weight of 302.78 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 78802366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).