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

C19H22ClNO3S — CID 70373571

IUPAC5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide
SMILESC=Cc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(CCCO)cc1
InChIInChI=1S/C19H22ClNO3S/c1-2-17-9-10-18(20)14-19(17)25(23,24)21-12-11-16-7-5-15(6-8-16)4-3-13-22/h2,5-10,14,21-22H,1,3-4,11-13H2
InChIKeyHBARZPCCXBAIGU-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.43
Rot. Bonds9

About 5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide

5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 70373571) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide
PubChem CID70373571
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide
SMILESC=Cc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(CCCO)cc1
InChIInChI=1S/C19H22ClNO3S/c1-2-17-9-10-18(20)14-19(17)25(23,24)21-12-11-16-7-5-15(6-8-16)4-3-13-22/h2,5-10,14,21-22H,1,3-4,11-13H2
InChIKeyHBARZPCCXBAIGU-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide (CID 70373571) is 5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide is C=Cc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(CCCO)cc1.
What is the InChIKey of 5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is HBARZPCCXBAIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-2-17-9-10-18(20)14-19(17)25(23,24)21-12-11-16-7-5-15(6-8-16)4-3-13-22/h2,5-10,14,21-22H,1,3-4,11-13H2.
What are the key properties of 5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide?
5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 379.91 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 70373571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).