4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide

C19H15ClN4O4S2 — CID 20874211

IUPAC4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide
SMILESCc1nn2c(=O)cc(COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)nc2s1
InChIInChI=1S/C19H15ClN4O4S2/c1-12-22-24-18(25)10-15(21-19(24)29-12)11-28-16-6-4-14(5-7-16)23-30(26,27)17-8-2-13(20)3-9-17/h2-10,23H,11H2,1H3
InChIKeyDJGRYBAZGSBADV-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.49
Rot. Bonds6

About 4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide

4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide (PubChem CID 20874211) has the molecular formula C19H15ClN4O4S2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide
PubChem CID20874211
Molecular FormulaC19H15ClN4O4S2
Molecular Weight462.94 g/mol
Exact Mass462.02
IUPAC Name4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide
SMILESCc1nn2c(=O)cc(COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)nc2s1
InChIInChI=1S/C19H15ClN4O4S2/c1-12-22-24-18(25)10-15(21-19(24)29-12)11-28-16-6-4-14(5-7-16)23-30(26,27)17-8-2-13(20)3-9-17/h2-10,23H,11H2,1H3
InChIKeyDJGRYBAZGSBADV-UHFFFAOYSA-N
XLogP3.49
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide 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

7-[(3-methoxyphenoxy)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20874045
4-chloro-N-[4-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy]phenyl]benzamide
CID 46258390
N-[3-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide
CID 20874180
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
2-chloro-N-[4-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 46258363
2-(4-chlorophenoxy)-N-[3-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy]phenyl]acetamide
CID 20874287
2-(4-chlorophenoxy)-N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
CID 20874320
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
N-[3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide
CID 22580517
4-chloro-N-[2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]phenyl]benzamide
CID 55898343
N-[4-[(2-butyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
CID 20874313
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide (CID 20874211) is 4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide is Cc1nn2c(=O)cc(COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)nc2s1.
What is the InChIKey of 4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide?
The InChIKey is DJGRYBAZGSBADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O4S2/c1-12-22-24-18(25)10-15(21-19(24)29-12)11-28-16-6-4-14(5-7-16)23-30(26,27)17-8-2-13(20)3-9-17/h2-10,23H,11H2,1H3.
What are the key properties of 4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide?
4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide has a molecular weight of 462.94 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 20874211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).