4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide

C15H24N2O3S — CID 62045038

IUPAC4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C2CCCNC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-20-14-6-8-15(9-7-14)21(18,19)17-12(2)13-5-4-10-16-11-13/h6-9,12-13,16-17H,3-5,10-11H2,1-2H3
InChIKeyWKOKYQQKAGYJNO-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.75
Rot. Bonds6

About 4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide

4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 62045038) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID62045038
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C2CCCNC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-20-14-6-8-15(9-7-14)21(18,19)17-12(2)13-5-4-10-16-11-13/h6-9,12-13,16-17H,3-5,10-11H2,1-2H3
InChIKeyWKOKYQQKAGYJNO-UHFFFAOYSA-N
XLogP1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970228
3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 119970212
4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828938
3,5-dichloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970234
4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970253
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
(4-ethoxyphenyl)-piperidin-3-ylmethanamine
CID 116935799
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970420
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970419
N-(1-piperidin-3-ylethyl)furan-2-sulfonamide
CID 120874778
4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964352

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide (CID 62045038) is 4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC(C)C2CCCNC2)cc1.
What is the InChIKey of 4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is WKOKYQQKAGYJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-20-14-6-8-15(9-7-14)21(18,19)17-12(2)13-5-4-10-16-11-13/h6-9,12-13,16-17H,3-5,10-11H2,1-2H3.
What are the key properties of 4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 62045038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).