N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide

C19H21ClN2O3S — CID 9314553

IUPACN-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3S/c1-14-8-9-15(19(23)22-10-3-2-4-11-22)12-18(14)26(24,25)21-17-7-5-6-16(20)13-17/h5-9,12-13,21H,2-4,10-11H2,1H3
InChIKeyIKKDZEQZLARNFZ-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.08
Rot. Bonds4

About N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide

N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 9314553) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID9314553
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3S/c1-14-8-9-15(19(23)22-10-3-2-4-11-22)12-18(14)26(24,25)21-17-7-5-6-16(20)13-17/h5-9,12-13,21H,2-4,10-11H2,1H3
InChIKeyIKKDZEQZLARNFZ-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

2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
3-[[3-[(3-chlorophenyl)sulfamoyl]phenyl]sulfamoyl]-4-methylbenzoic acid
CID 24502076
2-methyl-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2236821
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4530287
N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide
CID 9163777
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
ethyl 4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 35743469
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 30684576
4-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 50777549
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide (CID 9314553) is N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide is Cc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is IKKDZEQZLARNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-8-9-15(19(23)22-10-3-2-4-11-22)12-18(14)26(24,25)21-17-7-5-6-16(20)13-17/h5-9,12-13,21H,2-4,10-11H2,1H3.
What are the key properties of N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
N-(3-chlorophenyl)-2-methyl-5-(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-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 9314553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).