(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide

C15H16N2O4S2 — CID 31073494

IUPAC(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S2/c1-22(18,19)16-14-7-9-15(10-8-14)17-23(20,21)12-11-13-5-3-2-4-6-13/h2-12,16-17H,1H3/b12-11+
InChIKeyJUFQDIWBSMWMLT-VAWYXSNFSA-N
MW352.44 g/mol
LogP2.47
Rot. Bonds6

About (E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide

(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide (PubChem CID 31073494) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
PubChem CID31073494
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC Name(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S2/c1-22(18,19)16-14-7-9-15(10-8-14)17-23(20,21)12-11-13-5-3-2-4-6-13/h2-12,16-17H,1H3/b12-11+
InChIKeyJUFQDIWBSMWMLT-VAWYXSNFSA-N
XLogP2.47
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide
CID 31073687
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 2997932
(E)-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethenesulfonamide
CID 26970285
(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
CID 26950528
2-(4-fluorophenyl)-N-phenylethenesulfonamide
CID 66810640
(E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide
CID 58755395
N-methoxy-N-methyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24542624
CID 173016120
CID 173016120
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
(E)-N-(9H-fluoren-2-yl)-2-phenylethenesulfonamide
CID 51109658
N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9341925

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide (CID 31073494) is (E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide is CS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide?
The InChIKey is JUFQDIWBSMWMLT-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-22(18,19)16-14-7-9-15(10-8-14)17-23(20,21)12-11-13-5-3-2-4-6-13/h2-12,16-17H,1H3/b12-11+.
What are the key properties of (E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide?
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide has a molecular weight of 352.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 31073494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).