5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide

C17H10ClF2NO3S2 — CID 53124627

IUPAC5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H10ClF2NO3S2/c18-10-1-4-12(5-2-10)26(23,24)16-8-7-15(25-16)17(22)21-14-6-3-11(19)9-13(14)20/h1-9H,(H,21,22)
InChIKeyYNWFDFXZBNJQAB-UHFFFAOYSA-N
MW413.85 g/mol
LogP4.76
Rot. Bonds4

About 5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide

5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide (PubChem CID 53124627) has the molecular formula C17H10ClF2NO3S2 and a molecular weight of 413.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide
PubChem CID53124627
Molecular FormulaC17H10ClF2NO3S2
Molecular Weight413.85 g/mol
Exact Mass412.98
IUPAC Name5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H10ClF2NO3S2/c18-10-1-4-12(5-2-10)26(23,24)16-8-7-15(25-16)17(22)21-14-6-3-11(19)9-13(14)20/h1-9H,(H,21,22)
InChIKeyYNWFDFXZBNJQAB-UHFFFAOYSA-N
XLogP4.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.85
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625143
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124608
5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine
CID 2321668
5-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 53124572
N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124526
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,5-difluorophenyl)-5-methylthiophene-2-carboxamide
CID 16583786
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 8779936
1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 16925163
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,4-difluorophenyl)acetamide
CID 113000885

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide (CID 53124627) is 5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide?
The InChIKey is YNWFDFXZBNJQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2NO3S2/c18-10-1-4-12(5-2-10)26(23,24)16-8-7-15(25-16)17(22)21-14-6-3-11(19)9-13(14)20/h1-9H,(H,21,22).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide?
5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide has a molecular weight of 413.85 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 53124627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).