5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide

C13H10ClNO3S2 — CID 47233266

IUPAC5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide
SMILESO=C(NS(=O)(=O)/C=C/c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClNO3S2/c14-12-7-6-11(19-12)13(16)15-20(17,18)9-8-10-4-2-1-3-5-10/h1-9H,(H,15,16)/b9-8+
InChIKeyXCEMKUDVLIGPTO-CMDGGOBGSA-N
MW327.81 g/mol
LogP3.13
Rot. Bonds4

About 5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide

5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide (PubChem CID 47233266) has the molecular formula C13H10ClNO3S2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide
PubChem CID47233266
Molecular FormulaC13H10ClNO3S2
Molecular Weight327.81 g/mol
Exact Mass326.98
IUPAC Name5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide
SMILESO=C(NS(=O)(=O)/C=C/c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClNO3S2/c14-12-7-6-11(19-12)13(16)15-20(17,18)9-8-10-4-2-1-3-5-10/h1-9H,(H,15,16)/b9-8+
InChIKeyXCEMKUDVLIGPTO-CMDGGOBGSA-N
XLogP3.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-2-phenylethenyl]sulfonylurea
CID 22750927
4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide
CID 69433232
methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
CID 139258056
N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 32831449
N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide
CID 141014773
2,2-dimethyl-3-oxo-3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
CID 68504147
4-bromo-3,5-dimethoxy-N-[(E)-2-phenylethenyl]sulfonylbenzamide
CID 75403969
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid
CID 115284329
1-ethyl-3-[(E)-2-phenylethenyl]sulfonylthiourea
CID 121224456
2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide
CID 75397441

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide (CID 47233266) is 5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide is O=C(NS(=O)(=O)/C=C/c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide?
The InChIKey is XCEMKUDVLIGPTO-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H10ClNO3S2/c14-12-7-6-11(19-12)13(16)15-20(17,18)9-8-10-4-2-1-3-5-10/h1-9H,(H,15,16)/b9-8+.
What are the key properties of 5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide?
5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide has a molecular weight of 327.81 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 47233266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).