4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide

C17H20ClNO3S — CID 54757965

IUPAC4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(CCCO)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO3S/c18-16-6-8-17(9-7-16)23(21,22)19-11-10-15-4-1-3-14(13-15)5-2-12-20/h1,3-4,6-9,13,19-20H,2,5,10-12H2
InChIKeyNLCTZNYPPMDNHU-UHFFFAOYSA-N
MW353.87 g/mol
LogP2.79
Rot. Bonds8

About 4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide

4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 54757965) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is 4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide
PubChem CID54757965
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC Name4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(CCCO)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO3S/c18-16-6-8-17(9-7-16)23(21,22)19-11-10-15-4-1-3-14(13-15)5-2-12-20/h1,3-4,6-9,13,19-20H,2,5,10-12H2
InChIKeyNLCTZNYPPMDNHU-UHFFFAOYSA-N
XLogP2.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide (CID 54757965) is 4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1cccc(CCCO)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is NLCTZNYPPMDNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c18-16-6-8-17(9-7-16)23(21,22)19-11-10-15-4-1-3-14(13-15)5-2-12-20/h1,3-4,6-9,13,19-20H,2,5,10-12H2.
What are the key properties of 4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide?
4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[3-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 54757965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).