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

C9H10ClNO3S — CID 81435717

IUPAC4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC/C=C/Cl)cc1
InChIInChI=1S/C9H10ClNO3S/c10-6-1-7-14-8-2-4-9(5-3-8)15(11,12)13/h1-6H,7H2,(H2,11,12,13)/b6-1+
InChIKeyOHZRWVRXOKREOB-LZCJLJQNSA-N
MW247.70 g/mol
LogP1.47
Rot. Bonds4

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

4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide (PubChem CID 81435717) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
PubChem CID81435717
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC/C=C/Cl)cc1
InChIInChI=1S/C9H10ClNO3S/c10-6-1-7-14-8-2-4-9(5-3-8)15(11,12)13/h1-6H,7H2,(H2,11,12,13)/b6-1+
InChIKeyOHZRWVRXOKREOB-LZCJLJQNSA-N
XLogP1.47
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide
CID 82914363
3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
CID 82915114
1-chloro-4-(3-chloroprop-2-enoxy)benzene
CID 4518340
4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 80979145
4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide
CID 82914140
4-(2,2-difluoroethoxy)benzenesulfonamide
CID 60923217
1-(4-chlorobut-2-enoxy)-4-methylsulfonylbenzene
CID 77051830
4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide
CID 3089332
4-(4-propoxyphenoxy)benzenesulfonamide
CID 43342703
sodium 4-but-2-enoxybenzenesulfonate
CID 141464024
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342474

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide?
The IUPAC name of 4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide (CID 81435717) is 4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OC/C=C/Cl)cc1.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide?
The InChIKey is OHZRWVRXOKREOB-LZCJLJQNSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c10-6-1-7-14-8-2-4-9(5-3-8)15(11,12)13/h1-6H,7H2,(H2,11,12,13)/b6-1+.
What are the key properties of 4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide?
4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide has a molecular weight of 247.70 g/mol, XLogP of 1.47, 4 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]benzenesulfonamide is sourced from PubChem (CID 81435717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).