N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

C18H18N2O2S2 — CID 7510361

IUPACN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1
InChIInChI=1S/C18H18N2O2S2/c1-12-5-8-15(9-6-12)24(21,22)20-18-19-17(11-23-18)16-10-13(2)4-7-14(16)3/h4-11H,1-3H3,(H,19,20)
InChIKeyBBQAAYSFVAEQNG-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.54
Rot. Bonds4

About N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 7510361) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID7510361
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1
InChIInChI=1S/C18H18N2O2S2/c1-12-5-8-15(9-6-12)24(21,22)20-18-19-17(11-23-18)16-10-13(2)4-7-14(16)3/h4-11H,1-3H3,(H,19,20)
InChIKeyBBQAAYSFVAEQNG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 25335438
N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 169372428
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200
3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041538
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273340
4-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzenesulfonamide;4-naphthalen-1-yl-1,3-thiazol-2-amine;hydrobromide
CID 161448833
N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 25036163
4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620529
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831714
3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane
CID 90842938
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (CID 7510361) is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is BBQAAYSFVAEQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-12-5-8-15(9-6-12)24(21,22)20-18-19-17(11-23-18)16-10-13(2)4-7-14(16)3/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide 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 N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 7510361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).