3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide

C9H8Cl3NO2S — CID 115638542

IUPAC3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8Cl3NO2S/c1-6(10)5-13-16(14,15)9-3-7(11)2-8(12)4-9/h2-4,13H,1,5H2
InChIKeyWJCGXKRPIUEKBO-UHFFFAOYSA-N
MW300.59 g/mol
LogP3.02
Rot. Bonds4

About 3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide

3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide (PubChem CID 115638542) has the molecular formula C9H8Cl3NO2S and a molecular weight of 300.59 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide
PubChem CID115638542
Molecular FormulaC9H8Cl3NO2S
Molecular Weight300.59 g/mol
Exact Mass298.93
IUPAC Name3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8Cl3NO2S/c1-6(10)5-13-16(14,15)9-3-7(11)2-8(12)4-9/h2-4,13H,1,5H2
InChIKeyWJCGXKRPIUEKBO-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992
3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
CID 61287690
3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide
CID 115638510
[(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
CID 67276344
5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065
3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide
CID 115638669
5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753553
methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate
CID 115638561
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
CID 115638532
N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide
CID 115638682
3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753806
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide (CID 115638542) is 3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide is C=C(Cl)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide?
The InChIKey is WJCGXKRPIUEKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO2S/c1-6(10)5-13-16(14,15)9-3-7(11)2-8(12)4-9/h2-4,13H,1,5H2.
What are the key properties of 3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide?
3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide has a molecular weight of 300.59 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 115638542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).