5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

C18H12F3NO4S2 — CID 53124469

IUPAC5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C18H12F3NO4S2/c19-18(20,21)26-13-8-6-12(7-9-13)22-17(23)15-10-11-16(27-15)28(24,25)14-4-2-1-3-5-14/h1-11H,(H,22,23)
InChIKeyPEERTRZVCMRTTR-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.73
Rot. Bonds5

About 5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 53124469) has the molecular formula C18H12F3NO4S2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
PubChem CID53124469
Molecular FormulaC18H12F3NO4S2
Molecular Weight427.43 g/mol
Exact Mass427.02
IUPAC Name5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C18H12F3NO4S2/c19-18(20,21)26-13-8-6-12(7-9-13)22-17(23)15-10-11-16(27-15)28(24,25)14-4-2-1-3-5-14/h1-11H,(H,22,23)
InChIKeyPEERTRZVCMRTTR-UHFFFAOYSA-N
XLogP4.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124608
N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 53124429
2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 16944408
N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
CID 131852564
2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 141271002
(2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 2648500
5-bromo-4-methyl-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 79999376
5-(benzenesulfonyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 53124355
2-[benzenesulfonyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26944736
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077
N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119640113
N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124593

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide (CID 53124469) is 5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is PEERTRZVCMRTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO4S2/c19-18(20,21)26-13-8-6-12(7-9-13)22-17(23)15-10-11-16(27-15)28(24,25)14-4-2-1-3-5-14/h1-11H,(H,22,23).
What are the key properties of 5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 53124469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).