(E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide

C15H13ClFNO2S — CID 60533207

IUPAC(E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H13ClFNO2S/c1-11-2-4-12(5-3-11)8-9-21(19,20)18-15-7-6-13(17)10-14(15)16/h2-10,18H,1H3/b9-8+
InChIKeyUDNLAPUFDZJJCB-CMDGGOBGSA-N
MW325.79 g/mol
LogP4.20
Rot. Bonds4

About (E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide

(E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 60533207) has the molecular formula C15H13ClFNO2S and a molecular weight of 325.79 g/mol. Its IUPAC name is (E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
PubChem CID60533207
Molecular FormulaC15H13ClFNO2S
Molecular Weight325.79 g/mol
Exact Mass325.03
IUPAC Name(E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H13ClFNO2S/c1-11-2-4-12(5-3-11)8-9-21(19,20)18-15-7-6-13(17)10-14(15)16/h2-10,18H,1H3/b9-8+
InChIKeyUDNLAPUFDZJJCB-CMDGGOBGSA-N
XLogP4.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 47148674
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 71954271
(E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 90481130
5-methyl-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]benzoic acid
CID 51125949
(E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 60532924
N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide
CID 76991022
4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide
CID 76869846
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide
CID 68780541
2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-4-fluorobenzenesulfonamide
CID 42644607
N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide
CID 41296798
(E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide
CID 90481144

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide (CID 60533207) is (E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of (E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is UDNLAPUFDZJJCB-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H13ClFNO2S/c1-11-2-4-12(5-3-11)8-9-21(19,20)18-15-7-6-13(17)10-14(15)16/h2-10,18H,1H3/b9-8+.
What are the key properties of (E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 325.79 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 60533207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).