4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide

C29H22Cl2N4O3S2 — CID 134693596

IUPAC4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide
SMILESCc1nc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)c(Cl)cc2SCc2ccccc2)nc2ccccc12
InChIInChI=1S/C29H22Cl2N4O3S2/c1-18-22-9-5-6-10-25(22)34-29(32-18)35-40(37,38)27-15-23(28(36)33-21-13-11-20(30)12-14-21)24(31)16-26(27)39-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H,33,36)(H,32,34,35)
InChIKeyGEFDTERZHHJPHW-UHFFFAOYSA-N
MW609.56 g/mol
LogP7.59
Rot. Bonds8

About 4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide

4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide (PubChem CID 134693596) has the molecular formula C29H22Cl2N4O3S2 and a molecular weight of 609.56 g/mol. Its IUPAC name is 4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide
PubChem CID134693596
Molecular FormulaC29H22Cl2N4O3S2
Molecular Weight609.56 g/mol
Exact Mass608.05
IUPAC Name4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide
SMILESCc1nc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)c(Cl)cc2SCc2ccccc2)nc2ccccc12
InChIInChI=1S/C29H22Cl2N4O3S2/c1-18-22-9-5-6-10-25(22)34-29(32-18)35-40(37,38)27-15-23(28(36)33-21-13-11-20(30)12-14-21)24(31)16-26(27)39-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H,33,36)(H,32,34,35)
InChIKeyGEFDTERZHHJPHW-UHFFFAOYSA-N
XLogP7.59
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.56
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]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

4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfamoyl]benzamide
CID 11262540
4-benzylsulfanyl-2-chloro-5-[(4-oxo-3H-quinazolin-2-yl)sulfamoyl]benzamide
CID 135932081
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
potassium [2-benzylsulfanyl-4-chloro-5-[(4-fluorophenyl)carbamoyl]phenyl]sulfonyl-cyanoazanide
CID 23715654
acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide
CID 90484937
2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1010695
2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 92675622
4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 54499708
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4103073
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide?
The IUPAC name of 4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide (CID 134693596) is 4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide is Cc1nc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)c(Cl)cc2SCc2ccccc2)nc2ccccc12.
What is the InChIKey of 4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide?
The InChIKey is GEFDTERZHHJPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Cl2N4O3S2/c1-18-22-9-5-6-10-25(22)34-29(32-18)35-40(37,38)27-15-23(28(36)33-21-13-11-20(30)12-14-21)24(31)16-26(27)39-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H,33,36)(H,32,34,35).
What are the key properties of 4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide?
4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide has a molecular weight of 609.56 g/mol, XLogP of 7.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 134693596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).