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

C13H15ClN4O3S2 — CID 649199

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nncs2)c1
InChIInChI=1S/C13H15ClN4O3S2/c1-3-18(4-2)23(20,21)9-5-6-11(14)10(7-9)12(19)16-13-17-15-8-22-13/h5-8H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyFQZNUEUUTYFYLH-UHFFFAOYSA-N
MW374.88 g/mol
LogP2.47
Rot. Bonds6

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

2-chloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 649199) has the molecular formula C13H15ClN4O3S2 and a molecular weight of 374.88 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID649199
Molecular FormulaC13H15ClN4O3S2
Molecular Weight374.88 g/mol
Exact Mass374.03
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nncs2)c1
InChIInChI=1S/C13H15ClN4O3S2/c1-3-18(4-2)23(20,21)9-5-6-11(14)10(7-9)12(19)16-13-17-15-8-22-13/h5-8H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyFQZNUEUUTYFYLH-UHFFFAOYSA-N
XLogP2.47
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1117935
2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1310230
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4663171
4-chloro-3-sulfamoyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
CID 10069411
2-Chloro-N-[5-(pyrrolidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017319
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-2-chlorobenzamide
CID 16017556
4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 118706959
3-(1-pyrrolidinylsulfonyl)-N-1,3,4-thiadiazol-2-ylbenzamide
CID 768189
3-(Piperidine-1-sulfonyl)-N-[1,3,4]thiadiazol-2-yl-benzamide
CID 1101754
2-chloro-N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16017621
3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 691868
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1117934

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 649199) is 2-chloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nncs2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FQZNUEUUTYFYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3S2/c1-3-18(4-2)23(20,21)9-5-6-11(14)10(7-9)12(19)16-13-17-15-8-22-13/h5-8H,3-4H2,1-2H3,(H,16,17,19).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 374.88 g/mol, XLogP of 2.47, 6 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-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 649199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).