N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide

C23H18ClN3O3S2 — CID 4653870

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C23H18ClN3O3S2/c1-27(19-7-3-2-4-8-19)32(29,30)20-9-5-6-17(14-20)22(28)26-23-25-21(15-31-23)16-10-12-18(24)13-11-16/h2-15H,1H3,(H,25,26,28)
InChIKeyAVSSEOPVCQQSIT-UHFFFAOYSA-N
MW484.00 g/mol
LogP5.54
Rot. Bonds6

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 4653870) has the molecular formula C23H18ClN3O3S2 and a molecular weight of 484.00 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID4653870
Molecular FormulaC23H18ClN3O3S2
Molecular Weight484.00 g/mol
Exact Mass483.05
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C23H18ClN3O3S2/c1-27(19-7-3-2-4-8-19)32(29,30)20-9-5-6-17(14-20)22(28)26-23-25-21(15-31-23)16-10-12-18(24)13-11-16/h2-15H,1H3,(H,25,26,28)
InChIKeyAVSSEOPVCQQSIT-UHFFFAOYSA-N
XLogP5.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218
4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2374824
4-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912778
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4693642
N-(2,5-dichlorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 42991866
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 3492947
N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2711755
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 41028740
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16799635

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide (CID 4653870) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is AVSSEOPVCQQSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S2/c1-27(19-7-3-2-4-8-19)32(29,30)20-9-5-6-17(14-20)22(28)26-23-25-21(15-31-23)16-10-12-18(24)13-11-16/h2-15H,1H3,(H,25,26,28).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 484.00 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4653870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).