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

C13H14Cl2N4O3S2 — CID 1310230

IUPAC2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nncs2)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N4O3S2/c1-3-19(4-2)24(21,22)11-5-8(9(14)6-10(11)15)12(20)17-13-18-16-7-23-13/h5-7H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyNMMDWWLKNRDWES-UHFFFAOYSA-N
MW409.32 g/mol
LogP3.13
Rot. Bonds6

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

2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1310230) has the molecular formula C13H14Cl2N4O3S2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1310230
Molecular FormulaC13H14Cl2N4O3S2
Molecular Weight409.32 g/mol
Exact Mass407.99
IUPAC Name2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nncs2)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N4O3S2/c1-3-19(4-2)24(21,22)11-5-8(9(14)6-10(11)15)12(20)17-13-18-16-7-23-13/h5-7H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyNMMDWWLKNRDWES-UHFFFAOYSA-N
XLogP3.13
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-5-diethylsulfamoyl-N-[1,3,4]thiadiazol-2-yl-benzamide
CID 649199
2-Chloro-5-diethylsulfamoyl-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 1117935
4-chloro-3-sulfamoyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
CID 10069411
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
Cambridge id 7110726
CID 1332728
2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1036850
2-Chloro-5-(piperidine-1-sulfonyl)-N-[1,3,4]thiadiazol-2-yl-benzamide
CID 1087750
Cambridge id 7109748
CID 2174228
2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509310
2,4-dichloro-N-[5-(4-fluorocyclohexa-1,5-dien-1-yl)-1,3,4-thiadiazol-2-yl]-5-sulfamoylbenzamide
CID 71095472
2,4-dichloro-5-(morpholine-4-sulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369717

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 1310230) is 2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nncs2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is NMMDWWLKNRDWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O3S2/c1-3-19(4-2)24(21,22)11-5-8(9(14)6-10(11)15)12(20)17-13-18-16-7-23-13/h5-7H,3-4H2,1-2H3,(H,17,18,20).
What are the key properties of 2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 409.32 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1310230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).