5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide

C19H13ClF5N3O3S2 — CID 171472664

IUPAC5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1cc(-c2ccc(Cl)s2)cnc1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C19H13ClF5N3O3S2/c1-2-33(30,31)13-7-10(12-4-5-14(20)32-12)8-27-16(13)17(29)28-15-6-3-11(9-26-15)18(21,22)19(23,24)25/h3-9H,2H2,1H3,(H,26,28,29)
InChIKeyWVCVRSGINCYMQL-UHFFFAOYSA-N
MW525.91 g/mol
LogP5.56
Rot. Bonds6

About 5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide

5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 171472664) has the molecular formula C19H13ClF5N3O3S2 and a molecular weight of 525.91 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID171472664
Molecular FormulaC19H13ClF5N3O3S2
Molecular Weight525.91 g/mol
Exact Mass525.00
IUPAC Name5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1cc(-c2ccc(Cl)s2)cnc1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C19H13ClF5N3O3S2/c1-2-33(30,31)13-7-10(12-4-5-14(20)32-12)8-27-16(13)17(29)28-15-6-3-11(9-26-15)18(21,22)19(23,24)25/h3-9H,2H2,1H3,(H,26,28,29)
InChIKeyWVCVRSGINCYMQL-UHFFFAOYSA-N
XLogP5.56
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.91
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyridine-2-carboxamide
CID 171058671
3-ethylsulfonyl-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 118294577
3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 118299060
2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide
CID 118144406
5-(1,1-difluoroethyl)-3-ethylsulfonylpyridine-2-carboxylic acid
CID 162442570
N-[4-chloro-2-methyl-6-(1-methylsulfanylpropan-2-ylcarbamoyl)phenyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 174991573
N-(5-methyl-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
CID 43016681
N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide
CID 145231824
3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 118298962
3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
CID 59799292
5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114923893
2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide
CID 75468067

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide (CID 171472664) is 5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide is CCS(=O)(=O)c1cc(-c2ccc(Cl)s2)cnc1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cn1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is WVCVRSGINCYMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF5N3O3S2/c1-2-33(30,31)13-7-10(12-4-5-14(20)32-12)8-27-16(13)17(29)28-15-6-3-11(9-26-15)18(21,22)19(23,24)25/h3-9H,2H2,1H3,(H,26,28,29).
What are the key properties of 5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide?
5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 525.91 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-3-ethylsulfonyl-N-[5-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 171472664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).