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

C17H15FN4O3S2 — CID 998043

IUPACN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-fluorobenzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)s1
InChIInChI=1S/C17H15FN4O3S2/c1-2-15-20-21-17(26-15)22-27(24,25)14-9-7-13(8-10-14)19-16(23)11-3-5-12(18)6-4-11/h3-10H,2H2,1H3,(H,19,23)(H,21,22)
InChIKeyTYLXDPULRFOYMC-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.29
Rot. Bonds6

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

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-fluorobenzamide (PubChem CID 998043) has the molecular formula C17H15FN4O3S2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-fluorobenzamide
PubChem CID998043
Molecular FormulaC17H15FN4O3S2
Molecular Weight406.46 g/mol
Exact Mass406.06
IUPAC NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-fluorobenzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)s1
InChIInChI=1S/C17H15FN4O3S2/c1-2-15-20-21-17(26-15)22-27(24,25)14-9-7-13(8-10-14)19-16(23)11-3-5-12(18)6-4-11/h3-10H,2H2,1H3,(H,19,23)(H,21,22)
InChIKeyTYLXDPULRFOYMC-UHFFFAOYSA-N
XLogP3.29
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2210290
N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)-1-naphthamide
CID 1187414
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1309961
TG6-129
CID 1987175
N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 652436
N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide
CID 1615340
(E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 1822015
4-chloro-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 4014636
(2E)-N-(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)-3-(4-fluorophenyl)acrylamide
CID 6246323
2,5-dichloro-N-(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)benzamide
CID 1184571
4-cyano-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 1554444
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-{[(1E)-3-(4-methylphenyl)-3-oxoprop-1-en-1-yl]amino}benzenesulfonamide
CID 1587870

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-fluorobenzamide (CID 998043) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-fluorobenzamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)s1.
What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-fluorobenzamide?
The InChIKey is TYLXDPULRFOYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S2/c1-2-15-20-21-17(26-15)22-27(24,25)14-9-7-13(8-10-14)19-16(23)11-3-5-12(18)6-4-11/h3-10H,2H2,1H3,(H,19,23)(H,21,22).
What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-fluorobenzamide?
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-fluorobenzamide has a molecular weight of 406.46 g/mol, XLogP of 3.29, 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]-4-fluorobenzamide is sourced from PubChem (CID 998043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).