N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide

C19H21ClN2O3S — CID 109063323

IUPACN-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21ClN2O3S/c1-14-12-16(20)8-9-18(14)21-26(24,25)17-7-5-6-15(13-17)19(23)22-10-3-2-4-11-22/h5-9,12-13,21H,2-4,10-11H2,1H3
InChIKeyVDYVTFVUIMJQGZ-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.08
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide

N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109063323) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID109063323
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21ClN2O3S/c1-14-12-16(20)8-9-18(14)21-26(24,25)17-7-5-6-15(13-17)19(23)22-10-3-2-4-11-22/h5-9,12-13,21H,2-4,10-11H2,1H3
InChIKeyVDYVTFVUIMJQGZ-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)thiophene-2-sulfonamide
CID 50777685
3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55767362
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063341
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 22110085
3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide
CID 2331634

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide (CID 109063323) is N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide is Cc1cc(Cl)ccc1NS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is VDYVTFVUIMJQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-12-16(20)8-9-18(14)21-26(24,25)17-7-5-6-15(13-17)19(23)22-10-3-2-4-11-22/h5-9,12-13,21H,2-4,10-11H2,1H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109063323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).