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

C20H24N2O3S — CID 109063280

IUPACN-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24N2O3S/c1-16-8-3-4-9-18(16)15-21-26(24,25)19-11-7-10-17(14-19)20(23)22-12-5-2-6-13-22/h3-4,7-11,14,21H,2,5-6,12-13,15H2,1H3
InChIKeyVMVLFFHZCDQBAA-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.10
Rot. Bonds5

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

N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109063280) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID109063280
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24N2O3S/c1-16-8-3-4-9-18(16)15-21-26(24,25)19-11-7-10-17(14-19)20(23)22-12-5-2-6-13-22/h3-4,7-11,14,21H,2,5-6,12-13,15H2,1H3
InChIKeyVMVLFFHZCDQBAA-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109063474
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 39659483
N-tert-butyl-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8641874
3-(azetidine-1-carbonyl)-N-[2-(2,5-dimethylphenyl)ethyl]benzenesulfonamide
CID 77097982
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 38991805
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
N-(3-methylphenyl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 34743760
N-benzyl-3-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78785231
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 34744032

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide (CID 109063280) is N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide is Cc1ccccc1CNS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is VMVLFFHZCDQBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-8-3-4-9-18(16)15-21-26(24,25)19-11-7-10-17(14-19)20(23)22-12-5-2-6-13-22/h3-4,7-11,14,21H,2,5-6,12-13,15H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide?
N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.10, 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-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109063280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).