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

C12H11ClN2O3S2 — CID 75522734

IUPACN-(2-chloro-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1cccc(S(=O)(=O)NC(=O)c2csnc2C)c1Cl
InChIInChI=1S/C12H11ClN2O3S2/c1-7-4-3-5-10(11(7)13)20(17,18)15-12(16)9-6-19-14-8(9)2/h3-6H,1-2H3,(H,15,16)
InChIKeyCOWBIUWRZVZGBN-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.53
Rot. Bonds3

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

N-(2-chloro-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 75522734) has the molecular formula C12H11ClN2O3S2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(2-chloro-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID75522734
Molecular FormulaC12H11ClN2O3S2
Molecular Weight330.82 g/mol
Exact Mass329.99
IUPAC NameN-(2-chloro-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1cccc(S(=O)(=O)NC(=O)c2csnc2C)c1Cl
InChIInChI=1S/C12H11ClN2O3S2/c1-7-4-3-5-10(11(7)13)20(17,18)15-12(16)9-6-19-14-8(9)2/h3-6H,1-2H3,(H,15,16)
InChIKeyCOWBIUWRZVZGBN-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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloro-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide (CID 75522734) is N-(2-chloro-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide is Cc1cccc(S(=O)(=O)NC(=O)c2csnc2C)c1Cl.
What is the InChIKey of N-(2-chloro-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is COWBIUWRZVZGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S2/c1-7-4-3-5-10(11(7)13)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-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide?
N-(2-chloro-3-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-3-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 75522734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).