N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

C21H26N2O3S — CID 109063474

IUPACN-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-10-12-23(13-11-16)21(24)18-8-5-9-20(14-18)27(25,26)22-15-19-7-4-3-6-17(19)2/h3-9,14,16,22H,10-13,15H2,1-2H3
InChIKeyAJDSPPHEJRIVFI-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.35
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109063474) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID109063474
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-10-12-23(13-11-16)21(24)18-8-5-9-20(14-18)27(25,26)22-15-19-7-4-3-6-17(19)2/h3-9,14,16,22H,10-13,15H2,1-2H3
InChIKeyAJDSPPHEJRIVFI-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063280
3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 46652326
N-tert-butyl-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8641874
N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563230
1-[3-(benzylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353982
3-(azetidine-1-carbonyl)-N-[2-(2,5-dimethylphenyl)ethyl]benzenesulfonamide
CID 77097982
3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 119376148
1-[3-(ethylsulfamoyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064085
3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3916378
N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109064559
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 109063474) is N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is Cc1ccccc1CNS(=O)(=O)c1cccc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is AJDSPPHEJRIVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-10-12-23(13-11-16)21(24)18-8-5-9-20(14-18)27(25,26)22-15-19-7-4-3-6-17(19)2/h3-9,14,16,22H,10-13,15H2,1-2H3.
What are the key properties of N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109063474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).