N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide

C17H14F2N4O3S2 — CID 1184547

IUPACN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)s1
InChIInChI=1S/C17H14F2N4O3S2/c1-2-14-21-22-17(27-14)23-28(25,26)11-8-6-10(7-9-11)20-16(24)15-12(18)4-3-5-13(15)19/h3-9H,2H2,1H3,(H,20,24)(H,22,23)
InChIKeyQEXDASRGZAXVEO-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.43
Rot. Bonds6

About N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide (PubChem CID 1184547) has the molecular formula C17H14F2N4O3S2 and a molecular weight of 424.45 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide
PubChem CID1184547
Molecular FormulaC17H14F2N4O3S2
Molecular Weight424.45 g/mol
Exact Mass424.05
IUPAC NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)s1
InChIInChI=1S/C17H14F2N4O3S2/c1-2-14-21-22-17(27-14)23-28(25,26)11-8-6-10(7-9-11)20-16(24)15-12(18)4-3-5-13(15)19/h3-9H,2H2,1H3,(H,20,24)(H,22,23)
InChIKeyQEXDASRGZAXVEO-UHFFFAOYSA-N
XLogP3.43
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide (CID 1184547) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)s1.
What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide?
The InChIKey is QEXDASRGZAXVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3S2/c1-2-14-21-22-17(27-14)23-28(25,26)11-8-6-10(7-9-11)20-16(24)15-12(18)4-3-5-13(15)19/h3-9H,2H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide?
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide has a molecular weight of 424.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 1184547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).