(E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide

C16H12ClNO2S2 — CID 55476958

IUPAC(E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc2sccc2c1
InChIInChI=1S/C16H12ClNO2S2/c17-14-3-1-12(2-4-14)8-10-22(19,20)18-15-5-6-16-13(11-15)7-9-21-16/h1-11,18H/b10-8+
InChIKeyFRLADRVIEVHPKX-CSKARUKUSA-N
MW349.86 g/mol
LogP4.97
Rot. Bonds4

About (E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide

(E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide (PubChem CID 55476958) has the molecular formula C16H12ClNO2S2 and a molecular weight of 349.86 g/mol. Its IUPAC name is (E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide
PubChem CID55476958
Molecular FormulaC16H12ClNO2S2
Molecular Weight349.86 g/mol
Exact Mass349.00
IUPAC Name(E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc2sccc2c1
InChIInChI=1S/C16H12ClNO2S2/c17-14-3-1-12(2-4-14)8-10-22(19,20)18-15-5-6-16-13(11-15)7-9-21-16/h1-11,18H/b10-8+
InChIKeyFRLADRVIEVHPKX-CSKARUKUSA-N
XLogP4.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-(4-chlorophenyl)ethenesulfonamide
CID 66810710
(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide
CID 31073687
(E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide
CID 103944087
(E)-2-(4-chlorophenyl)-N-(4-ethylphenyl)ethenesulfonamide
CID 26970345
(E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide
CID 8518747
4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide
CID 6213409
(E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide
CID 90481161
N-(1-benzothiophen-5-yl)propane-1-sulfonamide
CID 60705280
2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide
CID 75901404
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide
CID 70038153
3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide
CID 71835094
(E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide
CID 8523325

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide (CID 55476958) is (E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc2sccc2c1.
What is the InChIKey of (E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide?
The InChIKey is FRLADRVIEVHPKX-CSKARUKUSA-N. The full InChI is InChI=1S/C16H12ClNO2S2/c17-14-3-1-12(2-4-14)8-10-22(19,20)18-15-5-6-16-13(11-15)7-9-21-16/h1-11,18H/b10-8+.
What are the key properties of (E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide?
(E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide has a molecular weight of 349.86 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzothiophen-5-yl)-2-(4-chlorophenyl)ethenesulfonamide is sourced from PubChem (CID 55476958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).