4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

C21H14ClFN4O3S2 — CID 24649153

IUPAC4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C21H14ClFN4O3S2/c22-17-11-6-14(12-18(17)32(29,30)27-16-9-7-15(23)8-10-16)19(28)24-21-26-25-20(31-21)13-4-2-1-3-5-13/h1-12,27H,(H,24,26,28)
InChIKeyGVOJSGZLAGCDGO-UHFFFAOYSA-N
MW488.95 g/mol
LogP5.05
Rot. Bonds6

About 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 24649153) has the molecular formula C21H14ClFN4O3S2 and a molecular weight of 488.95 g/mol. Its IUPAC name is 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID24649153
Molecular FormulaC21H14ClFN4O3S2
Molecular Weight488.95 g/mol
Exact Mass488.02
IUPAC Name4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C21H14ClFN4O3S2/c22-17-11-6-14(12-18(17)32(29,30)27-16-9-7-15(23)8-10-16)19(28)24-21-26-25-20(31-21)13-4-2-1-3-5-13/h1-12,27H,(H,24,26,28)
InChIKeyGVOJSGZLAGCDGO-UHFFFAOYSA-N
XLogP5.05
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.95
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
4-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92546648
4-chloro-N-[5-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100645181
4-chloro-3-(phenylsulfamoyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100527080
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991331
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100688864
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55793963
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100546774

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 24649153) is 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is GVOJSGZLAGCDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O3S2/c22-17-11-6-14(12-18(17)32(29,30)27-16-9-7-15(23)8-10-16)19(28)24-21-26-25-20(31-21)13-4-2-1-3-5-13/h1-12,27H,(H,24,26,28).
What are the key properties of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 488.95 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 24649153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).