5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide

C17H11ClF3N3O3S2 — CID 170103543

IUPAC5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nnsc2S(=O)(=O)c2ccc(Cl)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H11ClF3N3O3S2/c1-9-6-10(17(19,20)21)8-12(7-9)22-15(25)14-16(28-24-23-14)29(26,27)13-4-2-11(18)3-5-13/h2-8H,1H3,(H,22,25)
InChIKeyFSQKOCDAKBGXML-UHFFFAOYSA-N
MW461.87 g/mol
LogP4.60
Rot. Bonds4

About 5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide

5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide (PubChem CID 170103543) has the molecular formula C17H11ClF3N3O3S2 and a molecular weight of 461.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
PubChem CID170103543
Molecular FormulaC17H11ClF3N3O3S2
Molecular Weight461.87 g/mol
Exact Mass460.99
IUPAC Name5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nnsc2S(=O)(=O)c2ccc(Cl)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H11ClF3N3O3S2/c1-9-6-10(17(19,20)21)8-12(7-9)22-15(25)14-16(28-24-23-14)29(26,27)13-4-2-11(18)3-5-13/h2-8H,1H3,(H,22,25)
InChIKeyFSQKOCDAKBGXML-UHFFFAOYSA-N
XLogP4.60
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.87
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide
CID 170103491
5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 166887624
4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 136535933
N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide
CID 170103550
(2S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 28549157
N-(3-chloro-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide
CID 167685587
2-chloro-N-[3-methyl-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide
CID 154840238
N-[3-methyl-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119049246
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide (CID 170103543) is 5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide is Cc1cc(NC(=O)c2nnsc2S(=O)(=O)c2ccc(Cl)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The InChIKey is FSQKOCDAKBGXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O3S2/c1-9-6-10(17(19,20)21)8-12(7-9)22-15(25)14-16(28-24-23-14)29(26,27)13-4-2-11(18)3-5-13/h2-8H,1H3,(H,22,25).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide has a molecular weight of 461.87 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 170103543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).