5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

C14H19ClN2O3S — CID 82878062

IUPAC5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCc1c(C(=O)N2CCC(C)CC2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C14H19ClN2O3S/c1-9-3-5-17(6-4-9)14(18)12-7-11(15)8-13(10(12)2)21(16,19)20/h7-9H,3-6H2,1-2H3,(H2,16,19,20)
InChIKeyGWOVLKOSAWECSN-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.17
Rot. Bonds2

About 5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 82878062) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID82878062
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCc1c(C(=O)N2CCC(C)CC2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C14H19ClN2O3S/c1-9-3-5-17(6-4-9)14(18)12-7-11(15)8-13(10(12)2)21(16,19)20/h7-9H,3-6H2,1-2H3,(H2,16,19,20)
InChIKeyGWOVLKOSAWECSN-UHFFFAOYSA-N
XLogP2.17
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367301
5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide
CID 79179811
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 65373592
5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
CID 82891438
5-chloro-2-methyl-N-(3-methylcyclopentyl)-3-sulfamoylbenzamide
CID 114551529
(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124
2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 63929752
2,5-dichloro-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 65375063
5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
CID 82890908
2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388192
2-cyclobutylethyl 5-chloro-2-methyl-3-sulfamoylbenzoate
CID 106207164

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 82878062) is 5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is Cc1c(C(=O)N2CCC(C)CC2)cc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is GWOVLKOSAWECSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-9-3-5-17(6-4-9)14(18)12-7-11(15)8-13(10(12)2)21(16,19)20/h7-9H,3-6H2,1-2H3,(H2,16,19,20).
What are the key properties of 5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 82878062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).