4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide

C15H14ClNO2S — CID 2768894

IUPAC4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-2-12-17(14-6-4-3-5-7-14)20(18,19)15-10-8-13(16)9-11-15/h2-11H,1,12H2
InChIKeyCKPPCEJBGKVHPX-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.72
Rot. Bonds5

About 4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide

4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 2768894) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
PubChem CID2768894
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-2-12-17(14-6-4-3-5-7-14)20(18,19)15-10-8-13(16)9-11-15/h2-11H,1,12H2
InChIKeyCKPPCEJBGKVHPX-UHFFFAOYSA-N
XLogP3.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.72
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
1-(4-Chlorophenyl)sulfonyl-2,3-dihydroindole
CID 710426
1-(4-Chloro-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline
CID 2843275
N-(4-aminophenyl)-4-chlorobenzenesulfonamide
CID 4651464
2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 668802
4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 668790
4-Chloro-N-(2,5-difluoro-phenyl)-N-((R)-2-hydroxy-1-methyl-ethyl)-benzenesulfonamide
CID 44400772
4-Chloro-N-isopropyl-N-[3-(4-methyl-piperazin-1-yl)-phenyl]-benzenesulfonamide
CID 49864687
4-chloro-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
CID 71584279
Benzenesulfonamide, N-methyl-N-phenyl-
CID 135963
3',4-Dichlorobenzenesulfonanilide
CID 306214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide (CID 2768894) is 4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide is C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is CKPPCEJBGKVHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-2-12-17(14-6-4-3-5-7-14)20(18,19)15-10-8-13(16)9-11-15/h2-11H,1,12H2.
What are the key properties of 4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide?
4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 307.80 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 2768894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).