N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide

C20H24N2O3S — CID 1107832

IUPACN-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O3S/c1-16-12-14-22(15-13-16)20(23)17-8-10-18(11-9-17)21(2)26(24,25)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3
InChIKeyITKAJCWACBUBBD-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.38
Rot. Bonds4

About N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide

N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 1107832) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID1107832
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O3S/c1-16-12-14-22(15-13-16)20(23)17-8-10-18(11-9-17)21(2)26(24,25)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3
InChIKeyITKAJCWACBUBBD-UHFFFAOYSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 119375145
ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate
CID 23761964
N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 2473147
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2715498
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2331661
4-[benzenesulfonyl(methyl)amino]-N-cyclopentyl-N-methylbenzamide
CID 99950308
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 55646194
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-4-chloro-N-methylbenzenesulfonamide
CID 4275208
N-methyl-4-methylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28591462
N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 132658407

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 1107832) is N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is CC1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is ITKAJCWACBUBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-12-14-22(15-13-16)20(23)17-8-10-18(11-9-17)21(2)26(24,25)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3.
What are the key properties of N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1107832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).