3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide

C17H13ClFN3O3S2 — CID 86942122

IUPAC3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C17H13ClFN3O3S2/c18-12-3-7-14(8-4-12)27(24,25)10-9-15(23)20-17-21-16(22-26-17)11-1-5-13(19)6-2-11/h1-8H,9-10H2,(H,20,21,22,23)
InChIKeyIRNWJUIVZZFBDX-UHFFFAOYSA-N
MW425.89 g/mol
LogP3.80
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide

3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide (PubChem CID 86942122) has the molecular formula C17H13ClFN3O3S2 and a molecular weight of 425.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide
PubChem CID86942122
Molecular FormulaC17H13ClFN3O3S2
Molecular Weight425.89 g/mol
Exact Mass425.01
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C17H13ClFN3O3S2/c18-12-3-7-14(8-4-12)27(24,25)10-9-15(23)20-17-21-16(22-26-17)11-1-5-13(19)6-2-11/h1-8H,9-10H2,(H,20,21,22,23)
InChIKeyIRNWJUIVZZFBDX-UHFFFAOYSA-N
XLogP3.80
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16910434
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 16552582
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254347
3-(4-chlorophenyl)sulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
CID 44994731
3-(4-chlorophenyl)sulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 41151675
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254392
3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 16551103
2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 55361701
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 16910539
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151739
2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17013300
3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 146076485

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide (CID 86942122) is 3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)ns1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The InChIKey is IRNWJUIVZZFBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3S2/c18-12-3-7-14(8-4-12)27(24,25)10-9-15(23)20-17-21-16(22-26-17)11-1-5-13(19)6-2-11/h1-8H,9-10H2,(H,20,21,22,23).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide?
3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide has a molecular weight of 425.89 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide is sourced from PubChem (CID 86942122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).