5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide

C16H11ClFN3O3S2 — CID 170103491

IUPAC5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnsc2S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H11ClFN3O3S2/c1-9-2-7-13(12(18)8-9)19-15(22)14-16(25-21-20-14)26(23,24)11-5-3-10(17)4-6-11/h2-8H,1H3,(H,19,22)
InChIKeyCHXVRXYIFSTJGD-UHFFFAOYSA-N
MW411.87 g/mol
LogP3.72
Rot. Bonds4

About 5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide

5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 170103491) has the molecular formula C16H11ClFN3O3S2 and a molecular weight of 411.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide
PubChem CID170103491
Molecular FormulaC16H11ClFN3O3S2
Molecular Weight411.87 g/mol
Exact Mass410.99
IUPAC Name5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnsc2S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H11ClFN3O3S2/c1-9-2-7-13(12(18)8-9)19-15(22)14-16(25-21-20-14)26(23,24)11-5-3-10(17)4-6-11/h2-8H,1H3,(H,19,22)
InChIKeyCHXVRXYIFSTJGD-UHFFFAOYSA-N
XLogP3.72
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 53.72
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
5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide
CID 170103472
N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide
CID 166887479
5-(4-chlorophenyl)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
CID 170103543
N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide
CID 170103550
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
3-chloro-N-(2-fluoro-4-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62186223
4-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892609
3-chloro-N-(2-fluoro-4-methylphenyl)-4-hydroxybenzamide
CID 28881729
2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
CID 80948575
5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide
CID 53124627
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide (CID 170103491) is 5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide is Cc1ccc(NC(=O)c2nnsc2S(=O)(=O)c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is CHXVRXYIFSTJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O3S2/c1-9-2-7-13(12(18)8-9)19-15(22)14-16(25-21-20-14)26(23,24)11-5-3-10(17)4-6-11/h2-8H,1H3,(H,19,22).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide?
5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 411.87 g/mol, XLogP of 3.72, 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-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 170103491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).