4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide

C9H9Cl2NO3S — CID 80979145

IUPAC4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC/C(Cl)=C/Cl)cc1
InChIInChI=1S/C9H9Cl2NO3S/c10-5-7(11)6-15-8-1-3-9(4-2-8)16(12,13)14/h1-5H,6H2,(H2,12,13,14)/b7-5-
InChIKeyBMERRPIBQWMZJM-ALCCZGGFSA-N
MW282.15 g/mol
LogP2.03
Rot. Bonds4

About 4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide

4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide (PubChem CID 80979145) has the molecular formula C9H9Cl2NO3S and a molecular weight of 282.15 g/mol. Its IUPAC name is 4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
PubChem CID80979145
Molecular FormulaC9H9Cl2NO3S
Molecular Weight282.15 g/mol
Exact Mass280.97
IUPAC Name4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC/C(Cl)=C/Cl)cc1
InChIInChI=1S/C9H9Cl2NO3S/c10-5-7(11)6-15-8-1-3-9(4-2-8)16(12,13)14/h1-5H,6H2,(H2,12,13,14)/b7-5-
InChIKeyBMERRPIBQWMZJM-ALCCZGGFSA-N
XLogP2.03
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 82914764
3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 82915373
1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene
CID 572020
1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene
CID 79168528
4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
CID 81435717
2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79173371
2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid
CID 167862946
4-(2,2-difluoroethoxy)benzenesulfonamide
CID 60923217
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342474
4-[(Z)-2,3-dichloroprop-2-enoxy]-2,3,5-trimethylbenzenesulfonamide
CID 82911867
4-[4-(aminomethyl)phenoxy]benzenesulfonamide
CID 106485731

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide?
The IUPAC name of 4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide (CID 80979145) is 4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide.
What is the SMILES notation for 4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide?
The canonical SMILES for 4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OC/C(Cl)=C/Cl)cc1.
What is the InChIKey of 4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide?
The InChIKey is BMERRPIBQWMZJM-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H9Cl2NO3S/c10-5-7(11)6-15-8-1-3-9(4-2-8)16(12,13)14/h1-5H,6H2,(H2,12,13,14)/b7-5-.
What are the key properties of 4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide?
4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide has a molecular weight of 282.15 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide is sourced from PubChem (CID 80979145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).