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

C17H15ClN4O3S2 — CID 5110222

IUPAC3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)s1
InChIInChI=1S/C17H15ClN4O3S2/c1-2-15-20-21-17(26-15)22-27(24,25)14-8-6-13(7-9-14)19-16(23)11-4-3-5-12(18)10-11/h3-10H,2H2,1H3,(H,19,23)(H,21,22)
InChIKeyGZMQFNLWPDZVCI-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.81
Rot. Bonds6

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

3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 5110222) has the molecular formula C17H15ClN4O3S2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID5110222
Molecular FormulaC17H15ClN4O3S2
Molecular Weight422.92 g/mol
Exact Mass422.03
IUPAC Name3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)s1
InChIInChI=1S/C17H15ClN4O3S2/c1-2-15-20-21-17(26-15)22-27(24,25)14-8-6-13(7-9-14)19-16(23)11-4-3-5-12(18)10-11/h3-10H,2H2,1H3,(H,19,23)(H,21,22)
InChIKeyGZMQFNLWPDZVCI-UHFFFAOYSA-N
XLogP3.81
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)-1-naphthamide
CID 1187414
N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide
CID 1615340
N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 1077798
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
5-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1561767
N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)-4-fluorobenzamide
CID 1946732
4-(dipropylsulfamoyl)-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 2839288
N-{4-[(5-Ethyl-1,3,4-thiadiazol-2-YL)sulfamoyl]phenyl}-3-nitrobenzamide
CID 4516564
3-bromo-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide
CID 5224388

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (CID 5110222) is 3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)s1.
What is the InChIKey of 3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is GZMQFNLWPDZVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S2/c1-2-15-20-21-17(26-15)22-27(24,25)14-8-6-13(7-9-14)19-16(23)11-4-3-5-12(18)10-11/h3-10H,2H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 422.92 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 5110222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).