N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide

C12H11ClN2O3S2 — CID 75477957

IUPACN-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1cccc(Cl)c1S(=O)(=O)NC(=O)c1csnc1C
InChIInChI=1S/C12H11ClN2O3S2/c1-7-4-3-5-10(13)11(7)20(17,18)15-12(16)9-6-19-14-8(9)2/h3-6H,1-2H3,(H,15,16)
InChIKeyXBAWPAZUULXSGC-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.53
Rot. Bonds3

About N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide

N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 75477957) has the molecular formula C12H11ClN2O3S2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID75477957
Molecular FormulaC12H11ClN2O3S2
Molecular Weight330.82 g/mol
Exact Mass329.99
IUPAC NameN-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1cccc(Cl)c1S(=O)(=O)NC(=O)c1csnc1C
InChIInChI=1S/C12H11ClN2O3S2/c1-7-4-3-5-10(13)11(7)20(17,18)15-12(16)9-6-19-14-8(9)2/h3-6H,1-2H3,(H,15,16)
InChIKeyXBAWPAZUULXSGC-UHFFFAOYSA-N
XLogP2.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide
CID 75522734
2-chloro-N,6-dimethylbenzenesulfonamide
CID 58436447
N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 75501226
2-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 146256445
2-benzyl-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120525121
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151
methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate
CID 18434589
N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
CID 84584476
2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid
CID 166283600
6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide
CID 23002405
3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 154837608
1-(2,6-dichlorophenyl)-N-(2,6-dichlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453158

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide (CID 75477957) is N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide is Cc1cccc(Cl)c1S(=O)(=O)NC(=O)c1csnc1C.
What is the InChIKey of N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is XBAWPAZUULXSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S2/c1-7-4-3-5-10(13)11(7)20(17,18)15-12(16)9-6-19-14-8(9)2/h3-6H,1-2H3,(H,15,16).
What are the key properties of N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide?
N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 75477957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).