5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C17H10ClF3N2O3S2 — CID 166887624

IUPAC5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ncsc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H10ClF3N2O3S2/c18-11-3-7-13(8-4-11)28(25,26)16-14(22-9-27-16)15(24)23-12-5-1-10(2-6-12)17(19,20)21/h1-9H,(H,23,24)
InChIKeyMUVXVTWOYQPNTG-UHFFFAOYSA-N
MW446.86 g/mol
LogP4.90
Rot. Bonds4

About 5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 166887624) has the molecular formula C17H10ClF3N2O3S2 and a molecular weight of 446.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID166887624
Molecular FormulaC17H10ClF3N2O3S2
Molecular Weight446.86 g/mol
Exact Mass445.98
IUPAC Name5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ncsc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H10ClF3N2O3S2/c18-11-3-7-13(8-4-11)28(25,26)16-14(22-9-27-16)15(24)23-12-5-1-10(2-6-12)17(19,20)21/h1-9H,(H,23,24)
InChIKeyMUVXVTWOYQPNTG-UHFFFAOYSA-N
XLogP4.90
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.86
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
CID 170103543
4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 2730887
3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315
3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122535159
N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide
CID 165073935
5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567415
5-(4-chlorophenyl)sulfonyl-N-(4-fluoro-3-methylphenyl)thiadiazole-4-carboxamide
CID 170103484
N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide
CID 166887479
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 110860901
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 110696023
N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide
CID 10161709

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 166887624) is 5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ncsc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MUVXVTWOYQPNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O3S2/c18-11-3-7-13(8-4-11)28(25,26)16-14(22-9-27-16)15(24)23-12-5-1-10(2-6-12)17(19,20)21/h1-9H,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 446.86 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166887624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).