4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide

C12H10ClF2N3O4S2 — CID 167631207

IUPAC4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide
SMILESNS(=O)(=O)c1sc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)cc1Cl
InChIInChI=1S/C12H10ClF2N3O4S2/c13-7-4-9(23-12(7)24(16,21)22)10(19)17-6-3-8(15)11(20)18(5-6)2-1-14/h3-5H,1-2H2,(H,17,19)(H2,16,21,22)
InChIKeyNVECNGDEMIZIEP-UHFFFAOYSA-N
MW397.81 g/mol
LogP1.57
Rot. Bonds5

About 4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide

4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide (PubChem CID 167631207) has the molecular formula C12H10ClF2N3O4S2 and a molecular weight of 397.81 g/mol. Its IUPAC name is 4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide
PubChem CID167631207
Molecular FormulaC12H10ClF2N3O4S2
Molecular Weight397.81 g/mol
Exact Mass396.98
IUPAC Name4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide
SMILESNS(=O)(=O)c1sc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)cc1Cl
InChIInChI=1S/C12H10ClF2N3O4S2/c13-7-4-9(23-12(7)24(16,21)22)10(19)17-6-3-8(15)11(20)18(5-6)2-1-14/h3-5H,1-2H2,(H,17,19)(H2,16,21,22)
InChIKeyNVECNGDEMIZIEP-UHFFFAOYSA-N
XLogP1.57
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.81
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 167627100
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methylsulfanylthiophene-2-carboxamide
CID 146323308
N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
CID 146323136
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide
CID 166024375
2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
CID 167618481
3-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323175
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(1-methyl-2-oxopiperidin-4-yl)ethynyl]thiophene-2-carboxamide
CID 146323189
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide
CID 146323188
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide
CID 146323436
2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323132
5-acetamido-4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiolane-2-carboxamide
CID 166024240
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-(2-piperidin-3-ylethynyl)thiophene-2-carboxamide
CID 146323431

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide?
The IUPAC name of 4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide (CID 167631207) is 4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for 4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide is NS(=O)(=O)c1sc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)cc1Cl.
What is the InChIKey of 4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide?
The InChIKey is NVECNGDEMIZIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O4S2/c13-7-4-9(23-12(7)24(16,21)22)10(19)17-6-3-8(15)11(20)18(5-6)2-1-14/h3-5H,1-2H2,(H,17,19)(H2,16,21,22).
What are the key properties of 4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide?
4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide has a molecular weight of 397.81 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 167631207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).