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

C13H12Cl2N4O4S2 — CID 29369717

IUPAC2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N4O4S2/c14-9-6-10(15)11(25(21,22)19-1-3-23-4-2-19)5-8(9)12(20)17-13-18-16-7-24-13/h5-7H,1-4H2,(H,17,18,20)
InChIKeyMAKDPQBISYNDLZ-UHFFFAOYSA-N
MW423.30 g/mol
LogP2.12
Rot. Bonds4

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

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 29369717) has the molecular formula C13H12Cl2N4O4S2 and a molecular weight of 423.30 g/mol. Its IUPAC name is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID29369717
Molecular FormulaC13H12Cl2N4O4S2
Molecular Weight423.30 g/mol
Exact Mass421.97
IUPAC Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N4O4S2/c14-9-6-10(15)11(25(21,22)19-1-3-23-4-2-19)5-8(9)12(20)17-13-18-16-7-24-13/h5-7H,1-4H2,(H,17,18,20)
InChIKeyMAKDPQBISYNDLZ-UHFFFAOYSA-N
XLogP2.12
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,4-dichloro-5-morpholin-4-ylsulfonyl-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
2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1310230
3-(Morpholine-4-sulfonyl)-N-[1,3,4]thiadiazol-2-yl-benzamide
CID 1101797
2,4-dichloro-5-(4-morpholinylsulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1322381
2-Chloro-N-[5-(morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017589
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-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
CID 1252899
4-chloro-3-(morpholin-4-ylsulfonyl)-N-(1H-tetrazol-5-yl)benzamide
CID 16456841
4-chloro-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 16550787
2,4-dichloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
CID 56075820

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 29369717) is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is MAKDPQBISYNDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O4S2/c14-9-6-10(15)11(25(21,22)19-1-3-23-4-2-19)5-8(9)12(20)17-13-18-16-7-24-13/h5-7H,1-4H2,(H,17,18,20).
What are the key properties of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 423.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 29369717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).