2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

C18H18N2O2S2 — CID 15560939

IUPAC2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cs1
InChIInChI=1S/C18H18N2O2S2/c1-12-6-4-5-7-16(12)20-24(21,22)18-10-15(9-8-13(18)2)17-11-23-14(3)19-17/h4-11,20H,1-3H3
InChIKeyRPCMBOJDZIRVFA-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.54
Rot. Bonds4

About 2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 15560939) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID15560939
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cs1
InChIInChI=1S/C18H18N2O2S2/c1-12-6-4-5-7-16(12)20-24(21,22)18-10-15(9-8-13(18)2)17-11-23-14(3)19-17/h4-11,20H,1-3H3
InChIKeyRPCMBOJDZIRVFA-UHFFFAOYSA-N
XLogP4.54
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974284
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974264
2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 46329426
N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 164863451
N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
CID 53036276
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974263
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8823584
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 53117968
N-(2-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037594
4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-thiazole
CID 20974210
N-(2-chloro-4-methylphenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036320
2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 20974218

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (CID 15560939) is 2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cs1.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is RPCMBOJDZIRVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-12-6-4-5-7-16(12)20-24(21,22)18-10-15(9-8-13(18)2)17-11-23-14(3)19-17/h4-11,20H,1-3H3.
What are the key properties of 2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 358.49 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 15560939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).