2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C15H19ClN4O3S2 — CID 1117935

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)s1
InChIInChI=1S/C15H19ClN4O3S2/c1-4-13-18-19-15(24-13)17-14(21)11-9-10(7-8-12(11)16)25(22,23)20(5-2)6-3/h7-9H,4-6H2,1-3H3,(H,17,19,21)
InChIKeyHVSLRSOFVFGUPA-UHFFFAOYSA-N
MW402.93 g/mol
LogP3.04
Rot. Bonds7

About 2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1117935) has the molecular formula C15H19ClN4O3S2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1117935
Molecular FormulaC15H19ClN4O3S2
Molecular Weight402.93 g/mol
Exact Mass402.06
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)s1
InChIInChI=1S/C15H19ClN4O3S2/c1-4-13-18-19-15(24-13)17-14(21)11-9-10(7-8-12(11)16)25(22,23)20(5-2)6-3/h7-9H,4-6H2,1-3H3,(H,17,19,21)
InChIKeyHVSLRSOFVFGUPA-UHFFFAOYSA-N
XLogP3.04
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1284554
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 1547913
2-chloro-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl}benzamide
CID 2103737
2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 2443348
2-Chloro-5-diethylsulfamoyl-N-[1,3,4]thiadiazol-2-yl-benzamide
CID 649199
4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 745411
3-(diethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1117931
2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1310230
4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2080537
2-Chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-phenylpiperazine-1-sulfonyl)benzamide
CID 2398837
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-(1-piperidinylsulfonyl)benzamide
CID 2995070
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4663171

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 1117935) is 2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)s1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HVSLRSOFVFGUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3S2/c1-4-13-18-19-15(24-13)17-14(21)11-9-10(7-8-12(11)16)25(22,23)20(5-2)6-3/h7-9H,4-6H2,1-3H3,(H,17,19,21).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 402.93 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1117935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).