2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide

C12H12ClN3O3S2 — CID 106861734

IUPAC2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(S(N)(=O)=O)s2)c(Cl)c1
InChIInChI=1S/C12H12ClN3O3S2/c1-6-3-4-8(9(13)5-6)10(17)16-12-15-7(2)11(20-12)21(14,18)19/h3-5H,1-2H3,(H2,14,18,19)(H,15,16,17)
InChIKeyBSEBLWHFNINLJV-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.31
Rot. Bonds3

About 2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide

2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide (PubChem CID 106861734) has the molecular formula C12H12ClN3O3S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide
PubChem CID106861734
Molecular FormulaC12H12ClN3O3S2
Molecular Weight345.83 g/mol
Exact Mass345.00
IUPAC Name2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(S(N)(=O)=O)s2)c(Cl)c1
InChIInChI=1S/C12H12ClN3O3S2/c1-6-3-4-8(9(13)5-6)10(17)16-12-15-7(2)11(20-12)21(14,18)19/h3-5H,1-2H3,(H2,14,18,19)(H,15,16,17)
InChIKeyBSEBLWHFNINLJV-UHFFFAOYSA-N
XLogP2.31
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352
2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 107987091
2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 107096096
3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 107519561
2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63946023
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
CID 79769818
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106860455
2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63945041
2-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 106861358
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide (CID 106861734) is 2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nc(C)c(S(N)(=O)=O)s2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is BSEBLWHFNINLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S2/c1-6-3-4-8(9(13)5-6)10(17)16-12-15-7(2)11(20-12)21(14,18)19/h3-5H,1-2H3,(H2,14,18,19)(H,15,16,17).
What are the key properties of 2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide?
2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 345.83 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 106861734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).