2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide

C20H23ClN2O3S — CID 41368476

IUPAC2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)C2)ccc1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-14-6-5-11-23(13-14)20(24)16-9-10-17(21)19(12-16)27(25,26)22-18-8-4-3-7-15(18)2/h3-4,7-10,12,14,22H,5-6,11,13H2,1-2H3/t14-/m1/s1
InChIKeyCEHFZELXJVGJIG-CQSZACIVSA-N
MW406.94 g/mol
LogP4.32
Rot. Bonds4

About 2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide

2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide (PubChem CID 41368476) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide
PubChem CID41368476
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)C2)ccc1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-14-6-5-11-23(13-14)20(24)16-9-10-17(21)19(12-16)27(25,26)22-18-8-4-3-7-15(18)2/h3-4,7-10,12,14,22H,5-6,11,13H2,1-2H3/t14-/m1/s1
InChIKeyCEHFZELXJVGJIG-CQSZACIVSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347642
2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347547
2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 1289241
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061527
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159138
[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylphenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 78799951
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N-(2-methylphenyl)benzenesulfonamide
CID 9164303
N-(2-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283130
1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
CID 5236440
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100503088
4-chloro-3-[(2-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 80694028
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide (CID 41368476) is 2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)C2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is CEHFZELXJVGJIG-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-14-6-5-11-23(13-14)20(24)16-9-10-17(21)19(12-16)27(25,26)22-18-8-4-3-7-15(18)2/h3-4,7-10,12,14,22H,5-6,11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide?
2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 406.94 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 41368476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).