4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide

C15H14ClNO3S — CID 82914140

IUPAC4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC/C=C/Cl)c(-c2ccccc2)c1
InChIInChI=1S/C15H14ClNO3S/c16-9-4-10-20-15-8-7-13(21(17,18)19)11-14(15)12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,17,18,19)/b9-4+
InChIKeyFHCZBDRNXNKSEJ-RUDMXATFSA-N
MW323.80 g/mol
LogP3.13
Rot. Bonds5

About 4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide

4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide (PubChem CID 82914140) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide
PubChem CID82914140
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC/C=C/Cl)c(-c2ccccc2)c1
InChIInChI=1S/C15H14ClNO3S/c16-9-4-10-20-15-8-7-13(21(17,18)19)11-14(15)12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,17,18,19)/b9-4+
InChIKeyFHCZBDRNXNKSEJ-RUDMXATFSA-N
XLogP3.13
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide?
The IUPAC name of 4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide (CID 82914140) is 4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide is NS(=O)(=O)c1ccc(OC/C=C/Cl)c(-c2ccccc2)c1.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide?
The InChIKey is FHCZBDRNXNKSEJ-RUDMXATFSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-9-4-10-20-15-8-7-13(21(17,18)19)11-14(15)12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,17,18,19)/b9-4+.
What are the key properties of 4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide?
4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide has a molecular weight of 323.80 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide is sourced from PubChem (CID 82914140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).