3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide

C15H13Cl2NO2S — CID 3868087

IUPAC3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H13Cl2NO2S/c1-2-8-18(14-6-4-3-5-7-14)21(19,20)15-10-12(16)9-13(17)11-15/h2-7,9-11H,1,8H2
InChIKeyAPWUIFPKMFKPLB-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.37
Rot. Bonds5

About 3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide

3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 3868087) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is 3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
PubChem CID3868087
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC Name3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H13Cl2NO2S/c1-2-8-18(14-6-4-3-5-7-14)21(19,20)15-10-12(16)9-13(17)11-15/h2-7,9-11H,1,8H2
InChIKeyAPWUIFPKMFKPLB-UHFFFAOYSA-N
XLogP4.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-Chlorophenyl)-4-(phenylsulfonyl)piperazine
CID 710994
Piperazine, 1-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfonyl]-
CID 985376
2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 668802
4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 668790
2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 788793
1-(3-Chlorophenyl)-4-(2,5-dichlorobenzene-1-sulfonyl)piperazine
CID 386370
3-Amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 3774261
2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide
CID 767728
2,5-dichloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 796394
3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 2489123
2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide
CID 2696827
N-allyl-4-chloro-N-phenylbenzenesulfonamide
CID 2768894

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide (CID 3868087) is 3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide is C=CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is APWUIFPKMFKPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c1-2-8-18(14-6-4-3-5-7-14)21(19,20)15-10-12(16)9-13(17)11-15/h2-7,9-11H,1,8H2.
What are the key properties of 3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide?
3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 342.25 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 3868087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).