4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide

C15H24N2O2S — CID 16887425

IUPAC4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-13-4-6-15(7-5-13)20(18,19)16-12-14-8-10-17(2)11-9-14/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyZGBWCTLEMFRKTL-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.87
Rot. Bonds5

About 4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide

4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887425) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887425
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-13-4-6-15(7-5-13)20(18,19)16-12-14-8-10-17(2)11-9-14/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyZGBWCTLEMFRKTL-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887423
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640330
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide
CID 121108447
4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60854923
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66006962
4-ethyl-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640709
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887477
2-[4-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]phenyl]ethanethioamide
CID 79185810

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887425) is 4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1.
What is the InChIKey of 4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is ZGBWCTLEMFRKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-13-4-6-15(7-5-13)20(18,19)16-12-14-8-10-17(2)11-9-14/h4-7,14,16H,3,8-12H2,1-2H3.
What are the key properties of 4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).