3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide

C11H8Cl2N2O3S2 — CID 146154175

IUPAC3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ns1
InChIInChI=1S/C11H8Cl2N2O3S2/c1-20(17,18)15-11(16)10-5-9(14-19-10)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,15,16)
InChIKeySXQAKATXEVGFTE-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.81
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide

3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide (PubChem CID 146154175) has the molecular formula C11H8Cl2N2O3S2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide
PubChem CID146154175
Molecular FormulaC11H8Cl2N2O3S2
Molecular Weight351.24 g/mol
Exact Mass349.94
IUPAC Name3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ns1
InChIInChI=1S/C11H8Cl2N2O3S2/c1-20(17,18)15-11(16)10-5-9(14-19-10)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,15,16)
InChIKeySXQAKATXEVGFTE-UHFFFAOYSA-N
XLogP2.81
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide
CID 154805669
3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide
CID 126798321
methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate
CID 13073226
3-(6-chloro-3-pyridinyl)-1,2-thiazole-5-carboxylic acid
CID 87097857
methyl 4-(3,4-dichlorophenyl)benzoate
CID 18526057
1-(3-phenyl-1,2-thiazol-5-yl)ethanone
CID 121218421
2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5121730
N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide
CID 154810387
tert-butyl 3-[1-[4-[[[3-(3,4-dichlorophenyl)-1,2-thiazole-5-carbonyl]amino]methyl]phenyl]triazol-4-yl]-3-hydroxyazetidine-1-carboxylate
CID 166344172
N-methylsulfonyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 146154242
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
6-(3,4-dichlorophenyl)-4,6-dimethyl-N-methylsulfonylcyclohexene-1-carboxamide
CID 44612462

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide (CID 146154175) is 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide is CS(=O)(=O)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ns1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide?
The InChIKey is SXQAKATXEVGFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3S2/c1-20(17,18)15-11(16)10-5-9(14-19-10)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,15,16).
What are the key properties of 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide?
3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 146154175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).