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

C19H19FN4O3S2 — CID 86942016

IUPACN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C19H19FN4O3S2/c1-12(2)24(3)29(26,27)16-10-6-14(7-11-16)18(25)22-19-21-17(23-28-19)13-4-8-15(20)9-5-13/h4-12H,1-3H3,(H,21,22,23,25)
InChIKeyPJJHMYVLUWAFJS-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.63
Rot. Bonds6

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

N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 86942016) has the molecular formula C19H19FN4O3S2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID86942016
Molecular FormulaC19H19FN4O3S2
Molecular Weight434.52 g/mol
Exact Mass434.09
IUPAC NameN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C19H19FN4O3S2/c1-12(2)24(3)29(26,27)16-10-6-14(7-11-16)18(25)22-19-21-17(23-28-19)13-4-8-15(20)9-5-13/h4-12H,1-3H3,(H,21,22,23,25)
InChIKeyPJJHMYVLUWAFJS-UHFFFAOYSA-N
XLogP3.63
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55489227
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993057
4-fluoro-N-[1-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 86942069
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35804756
N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314705
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26291645
4-[methyl(propan-2-yl)sulfamoyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide
CID 86970963
4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134036658
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993217
4-(1,3-dithian-2-yl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 86942136
N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 86942095
2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 56503511

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 86942016) is N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is PJJHMYVLUWAFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S2/c1-12(2)24(3)29(26,27)16-10-6-14(7-11-16)18(25)22-19-21-17(23-28-19)13-4-8-15(20)9-5-13/h4-12H,1-3H3,(H,21,22,23,25).
What are the key properties of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 434.52 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 86942016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).