1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide

C19H24ClNO3S — CID 139649181

IUPAC1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide
SMILESCC(c1ccc(Cl)cc1)S(=O)(=O)NCCc1ccc(CCCO)cc1
InChIInChI=1S/C19H24ClNO3S/c1-15(18-8-10-19(20)11-9-18)25(23,24)21-13-12-17-6-4-16(5-7-17)3-2-14-22/h4-11,15,21-22H,2-3,12-14H2,1H3
InChIKeyGCEXBLQQBWBROX-UHFFFAOYSA-N
MW381.93 g/mol
LogP3.49
Rot. Bonds9

About 1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide

1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide (PubChem CID 139649181) has the molecular formula C19H24ClNO3S and a molecular weight of 381.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide
PubChem CID139649181
Molecular FormulaC19H24ClNO3S
Molecular Weight381.93 g/mol
Exact Mass381.12
IUPAC Name1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide
SMILESCC(c1ccc(Cl)cc1)S(=O)(=O)NCCc1ccc(CCCO)cc1
InChIInChI=1S/C19H24ClNO3S/c1-15(18-8-10-19(20)11-9-18)25(23,24)21-13-12-17-6-4-16(5-7-17)3-2-14-22/h4-11,15,21-22H,2-3,12-14H2,1H3
InChIKeyGCEXBLQQBWBROX-UHFFFAOYSA-N
XLogP3.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide (CID 139649181) is 1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide is CC(c1ccc(Cl)cc1)S(=O)(=O)NCCc1ccc(CCCO)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide?
The InChIKey is GCEXBLQQBWBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3S/c1-15(18-8-10-19(20)11-9-18)25(23,24)21-13-12-17-6-4-16(5-7-17)3-2-14-22/h4-11,15,21-22H,2-3,12-14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide?
1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide has a molecular weight of 381.93 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide is sourced from PubChem (CID 139649181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).