4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide

C20H20ClN3O3S2 — CID 26115626

IUPAC4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)n2)cc1C
InChIInChI=1S/C20H20ClN3O3S2/c1-12-5-6-14(9-13(12)2)17-11-28-20(22-17)23-19(25)15-7-8-16(21)18(10-15)29(26,27)24(3)4/h5-11H,1-4H3,(H,22,23,25)
InChIKeyDWJOVRXTLQFDQP-UHFFFAOYSA-N
MW449.99 g/mol
LogP4.58
Rot. Bonds5

About 4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide

4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 26115626) has the molecular formula C20H20ClN3O3S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is 4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide
PubChem CID26115626
Molecular FormulaC20H20ClN3O3S2
Molecular Weight449.99 g/mol
Exact Mass449.06
IUPAC Name4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)n2)cc1C
InChIInChI=1S/C20H20ClN3O3S2/c1-12-5-6-14(9-13(12)2)17-11-28-20(22-17)23-19(25)15-7-8-16(21)18(10-15)29(26,27)24(3)4/h5-11H,1-4H3,(H,22,23,25)
InChIKeyDWJOVRXTLQFDQP-UHFFFAOYSA-N
XLogP4.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 33302522
4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55777273
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565614
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 27669119
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 52651915
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4646217
2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 4653670
4-(azepan-1-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1191189
N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-4-hydroxy-3-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide (CID 26115626) is 4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide is Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)n2)cc1C.
What is the InChIKey of 4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is DWJOVRXTLQFDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S2/c1-12-5-6-14(9-13(12)2)17-11-28-20(22-17)23-19(25)15-7-8-16(21)18(10-15)29(26,27)24(3)4/h5-11H,1-4H3,(H,22,23,25).
What are the key properties of 4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide?
4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 449.99 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 26115626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).