2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide

C18H17ClN4O3S2 — CID 24649213

IUPAC2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C18H17ClN4O3S2/c1-11(2)23-28(25,26)13-8-9-15(19)14(10-13)16(24)20-18-22-21-17(27-18)12-6-4-3-5-7-12/h3-11,23H,1-2H3,(H,20,22,24)
InChIKeyOHHDLIXSCGBVFG-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.80
Rot. Bonds6

About 2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide

2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 24649213) has the molecular formula C18H17ClN4O3S2 and a molecular weight of 436.95 g/mol. Its IUPAC name is 2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID24649213
Molecular FormulaC18H17ClN4O3S2
Molecular Weight436.95 g/mol
Exact Mass436.04
IUPAC Name2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C18H17ClN4O3S2/c1-11(2)23-28(25,26)13-8-9-15(19)14(10-13)16(24)20-18-22-21-17(27-18)12-6-4-3-5-7-12/h3-11,23H,1-2H3,(H,20,22,24)
InChIKeyOHHDLIXSCGBVFG-UHFFFAOYSA-N
XLogP3.80
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)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

5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100688864
2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide
CID 42353845
2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45006642
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
CID 24568248
3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 42770101
N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 34756542
N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 51285596
2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
CID 51316610
2-[(4-tert-butylphenyl)sulfonylamino]-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 5084034
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24659572
2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide
CID 56569965
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide (CID 24649213) is 2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(-c3ccccc3)s2)c1.
What is the InChIKey of 2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is OHHDLIXSCGBVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S2/c1-11(2)23-28(25,26)13-8-9-15(19)14(10-13)16(24)20-18-22-21-17(27-18)12-6-4-3-5-7-12/h3-11,23H,1-2H3,(H,20,22,24).
What are the key properties of 2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide?
2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 436.95 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 24649213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).