N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide

C21H26N2O3S — CID 132658407

IUPACN-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCCN(c1ccc(C(=O)N2CCCC(C)C2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-3-23(27(25,26)20-9-5-4-6-10-20)19-13-11-18(12-14-19)21(24)22-15-7-8-17(2)16-22/h4-6,9-14,17H,3,7-8,15-16H2,1-2H3
InChIKeyGCFPWCQFUFNECX-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.77
Rot. Bonds5

About N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide

N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 132658407) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID132658407
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCCN(c1ccc(C(=O)N2CCCC(C)C2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-3-23(27(25,26)20-9-5-4-6-10-20)19-13-11-18(12-14-19)21(24)22-15-7-8-17(2)16-22/h4-6,9-14,17H,3,7-8,15-16H2,1-2H3
InChIKeyGCFPWCQFUFNECX-UHFFFAOYSA-N
XLogP3.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-ethyl-N-phenylbenzenesulfonamide
CID 26009023
4-(3,5-dimethylpiperidine-1-carbonyl)-N-ethyl-N-phenylbenzenesulfonamide
CID 17479841
4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 132672969
4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide
CID 109061524
N-[4-(azepane-1-carbonyl)phenyl]-N-ethyl-4-methylsulfanylbenzenesulfonamide
CID 28591584
N-ethyl-3-(3-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 119577414
N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 1100955
N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1107832
N-ethyl-3-(3-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide;hydrochloride
CID 119577413
N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide
CID 132662900
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 109048199
N-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 2471505

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 132658407) is N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is CCN(c1ccc(C(=O)N2CCCC(C)C2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is GCFPWCQFUFNECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-23(27(25,26)20-9-5-4-6-10-20)19-13-11-18(12-14-19)21(24)22-15-7-8-17(2)16-22/h4-6,9-14,17H,3,7-8,15-16H2,1-2H3.
What are the key properties of N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 132658407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).