N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide

C17H15ClN4O3S2 — CID 1077798

IUPACN-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C17H15ClN4O3S2/c1-11(23)19-14-6-8-15(9-7-14)27(24,25)22-17-21-20-16(26-17)10-12-2-4-13(18)5-3-12/h2-9H,10H2,1H3,(H,19,23)(H,21,22)
InChIKeyHHPULQZYWGZUDS-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.54
Rot. Bonds6

About N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 1077798) has the molecular formula C17H15ClN4O3S2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID1077798
Molecular FormulaC17H15ClN4O3S2
Molecular Weight422.92 g/mol
Exact Mass422.03
IUPAC NameN-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C17H15ClN4O3S2/c1-11(23)19-14-6-8-15(9-7-14)27(24,25)22-17-21-20-16(26-17)10-12-2-4-13(18)5-3-12/h2-9H,10H2,1H3,(H,19,23)(H,21,22)
InChIKeyHHPULQZYWGZUDS-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[(4-chloroanilino)carbonyl]amino}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 1011274
N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 652436
(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
N-(4-(((5-Ethyl-1,3,4-thiadiazol-2-yl)amino)sulfonyl)phenyl)acetamide
CID 745569
2,5-dichloro-N-(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)benzamide
CID 1184571
3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
CID 5110222
2,4-dichloro-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 1040304
3-(2-chlorophenyl)-N-(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)acrylamide
CID 1312344
3-(N-(4-chlorophenyl)sulfonyl-3,5-dimethylanilino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2427190
N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 1069388

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide (CID 1077798) is N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is HHPULQZYWGZUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S2/c1-11(23)19-14-6-8-15(9-7-14)27(24,25)22-17-21-20-16(26-17)10-12-2-4-13(18)5-3-12/h2-9H,10H2,1H3,(H,19,23)(H,21,22).
What are the key properties of N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 422.92 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1077798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).