4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

C17H25ClN2O3S — CID 55331996

IUPAC4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC1CCCCN1C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl
InChIInChI=1S/C17H25ClN2O3S/c1-12(2)19(4)24(22,23)14-8-9-16(18)15(11-14)17(21)20-10-6-5-7-13(20)3/h8-9,11-13H,5-7,10H2,1-4H3
InChIKeyHLJWZQACZVOWLI-UHFFFAOYSA-N
MW372.92 g/mol
LogP3.38
Rot. Bonds4

About 4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 55331996) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID55331996
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC Name4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC1CCCCN1C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl
InChIInChI=1S/C17H25ClN2O3S/c1-12(2)19(4)24(22,23)14-8-9-16(18)15(11-14)17(21)20-10-6-5-7-13(20)3/h8-9,11-13H,5-7,10H2,1-4H3
InChIKeyHLJWZQACZVOWLI-UHFFFAOYSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65376127
3-(azocane-1-carbonyl)-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 51145580
2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 9473189
4-chloro-N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 55330186
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-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 97083994
4-bromo-3-(2-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397267
2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510508
ethyl 4-[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 36861151
N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 8502446
4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65397198
(2S)-1-[2-chloro-5-(diethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 41273093

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (CID 55331996) is 4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide is CC1CCCCN1C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is HLJWZQACZVOWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-12(2)19(4)24(22,23)14-8-9-16(18)15(11-14)17(21)20-10-6-5-7-13(20)3/h8-9,11-13H,5-7,10H2,1-4H3.
What are the key properties of 4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 372.92 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 55331996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).