N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide

C16H12FN3O3S2 — CID 170103550

IUPACN-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide
SMILESCc1cccc(S(=O)(=O)c2snnc2C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H12FN3O3S2/c1-10-3-2-4-13(9-10)25(22,23)16-14(19-20-24-16)15(21)18-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,18,21)
InChIKeyOSBFWFCAXFKZMT-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.07
Rot. Bonds4

About N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide

N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide (PubChem CID 170103550) has the molecular formula C16H12FN3O3S2 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide
PubChem CID170103550
Molecular FormulaC16H12FN3O3S2
Molecular Weight377.42 g/mol
Exact Mass377.03
IUPAC NameN-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide
SMILESCc1cccc(S(=O)(=O)c2snnc2C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H12FN3O3S2/c1-10-3-2-4-13(9-10)25(22,23)16-14(19-20-24-16)15(21)18-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,18,21)
InChIKeyOSBFWFCAXFKZMT-UHFFFAOYSA-N
XLogP3.07
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide
CID 170103491
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
5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 1499074
N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide
CID 542426
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751902
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
N-(4-fluorophenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53099797
N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110858632
N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 110858652
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide (CID 170103550) is N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide is Cc1cccc(S(=O)(=O)c2snnc2C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide?
The InChIKey is OSBFWFCAXFKZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S2/c1-10-3-2-4-13(9-10)25(22,23)16-14(19-20-24-16)15(21)18-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,18,21).
What are the key properties of N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide?
N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide is sourced from PubChem (CID 170103550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).