N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide

C17H12F3N3O3S2 — CID 3043797

IUPACN-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cnccc1Nc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C17H12F3N3O3S2/c18-17(19,20)11-3-1-4-12(9-11)22-13-6-7-21-10-15(13)28(25,26)23-16(24)14-5-2-8-27-14/h1-10H,(H,21,22)(H,23,24)
InChIKeyZMNQREUYLGOHFE-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.02
Rot. Bonds5

About N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide

N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide (PubChem CID 3043797) has the molecular formula C17H12F3N3O3S2 and a molecular weight of 427.43 g/mol. Its IUPAC name is N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide
PubChem CID3043797
Molecular FormulaC17H12F3N3O3S2
Molecular Weight427.43 g/mol
Exact Mass427.03
IUPAC NameN-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cnccc1Nc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C17H12F3N3O3S2/c18-17(19,20)11-3-1-4-12(9-11)22-13-6-7-21-10-15(13)28(25,26)23-16(24)14-5-2-8-27-14/h1-10H,(H,21,22)(H,23,24)
InChIKeyZMNQREUYLGOHFE-UHFFFAOYSA-N
XLogP4.02
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide (CID 3043797) is N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide is O=C(NS(=O)(=O)c1cnccc1Nc1cccc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide?
The InChIKey is ZMNQREUYLGOHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3S2/c18-17(19,20)11-3-1-4-12(9-11)22-13-6-7-21-10-15(13)28(25,26)23-16(24)14-5-2-8-27-14/h1-10H,(H,21,22)(H,23,24).
What are the key properties of N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide?
N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]thiophene-2-carboxamide is sourced from PubChem (CID 3043797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).