N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide

C15H8Cl2FN3O3S2 — CID 166887479

IUPACN-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2FN3O3S2/c16-8-1-3-12(4-2-8)26(23,24)15-13(20-21-25-15)14(22)19-11-6-9(17)5-10(18)7-11/h1-7H,(H,19,22)
InChIKeyBACMRISSRFNGFZ-UHFFFAOYSA-N
MW432.29 g/mol
LogP4.07
Rot. Bonds4

About N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide

N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide (PubChem CID 166887479) has the molecular formula C15H8Cl2FN3O3S2 and a molecular weight of 432.29 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide
PubChem CID166887479
Molecular FormulaC15H8Cl2FN3O3S2
Molecular Weight432.29 g/mol
Exact Mass430.94
IUPAC NameN-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2FN3O3S2/c16-8-1-3-12(4-2-8)26(23,24)15-13(20-21-25-15)14(22)19-11-6-9(17)5-10(18)7-11/h1-7H,(H,19,22)
InChIKeyBACMRISSRFNGFZ-UHFFFAOYSA-N
XLogP4.07
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 54.07
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)sulfonyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
CID 170103543
5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide
CID 170103491
N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide
CID 170103550
5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide
CID 170103475
5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 166887624
N-(3-chloro-5-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676875
N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724034
N-(3-chloro-5-fluorophenyl)-3-hydroxybenzamide
CID 107366818
N-(3-chloro-5-fluorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107366833
3-chloro-N-(3-chloro-5-fluorophenyl)-4-hydroxybenzamide
CID 107366859
4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 103774690

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide (CID 166887479) is N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide is O=C(Nc1cc(F)cc(Cl)c1)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide?
The InChIKey is BACMRISSRFNGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FN3O3S2/c16-8-1-3-12(4-2-8)26(23,24)15-13(20-21-25-15)14(22)19-11-6-9(17)5-10(18)7-11/h1-7H,(H,19,22).
What are the key properties of N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide?
N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide has a molecular weight of 432.29 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-5-(4-chlorophenyl)sulfonylthiadiazole-4-carboxamide is sourced from PubChem (CID 166887479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).