2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide

C19H22N2O3S — CID 3330088

IUPAC2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-15-10-11-16(19(22)21-12-6-3-7-13-21)14-18(15)25(23,24)20-17-8-4-2-5-9-17/h2,4-5,8-11,14,20H,3,6-7,12-13H2,1H3
InChIKeyMPKZELBLVBLAMU-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.42
Rot. Bonds4

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

2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 3330088) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID3330088
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-15-10-11-16(19(22)21-12-6-3-7-13-21)14-18(15)25(23,24)20-17-8-4-2-5-9-17/h2,4-5,8-11,14,20H,3,6-7,12-13H2,1H3
InChIKeyMPKZELBLVBLAMU-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 9314553
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4530287
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35274603
2-methyl-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2236821
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 126414305
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2229395
4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502974
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide (CID 3330088) is 2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide is Cc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is MPKZELBLVBLAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-10-11-16(19(22)21-12-6-3-7-13-21)14-18(15)25(23,24)20-17-8-4-2-5-9-17/h2,4-5,8-11,14,20H,3,6-7,12-13H2,1H3.
What are the key properties of 2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 3330088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).