(E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide

C15H14ClNO2S — CID 51169798

IUPAC(E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-17(15-5-3-2-4-6-15)20(18,19)12-11-13-7-9-14(16)10-8-13/h2-12H,1H3/b12-11+
InChIKeyYTOMXSLDMXCQSF-VAWYXSNFSA-N
MW307.80 g/mol
LogP3.78
Rot. Bonds4

About (E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide

(E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide (PubChem CID 51169798) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide
PubChem CID51169798
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name(E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-17(15-5-3-2-4-6-15)20(18,19)12-11-13-7-9-14(16)10-8-13/h2-12H,1H3/b12-11+
InChIKeyYTOMXSLDMXCQSF-VAWYXSNFSA-N
XLogP3.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide
CID 56541872
N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide
CID 73447778
(E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide
CID 166405005
(E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide
CID 113285734
4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline
CID 20650306
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427564
1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene
CID 14929190
(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide
CID 8007010
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide
CID 55353883
(1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide
CID 15075079
2-phenylethenesulfonate;tris(4-chlorophenyl)-methylphosphanium
CID 88618335

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide (CID 51169798) is (E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide is CN(c1ccccc1)S(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide?
The InChIKey is YTOMXSLDMXCQSF-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-17(15-5-3-2-4-6-15)20(18,19)12-11-13-7-9-14(16)10-8-13/h2-12H,1H3/b12-11+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide has a molecular weight of 307.80 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide is sourced from PubChem (CID 51169798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).