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

C16H14N2O2S2 — CID 748055

IUPAC4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H14N2O2S2/c1-12-7-9-14(10-8-12)22(19,20)18-16-17-15(11-21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKeyMLWXUOVWRAMXFK-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.92
Rot. Bonds4

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

4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 748055) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID748055
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H14N2O2S2/c1-12-7-9-14(10-8-12)22(19,20)18-16-17-15(11-21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKeyMLWXUOVWRAMXFK-UHFFFAOYSA-N
XLogP3.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.92
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

2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902
4-m-Tolyl-thiazol-2-ylamine
CID 220170
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]guanidine
CID 2741257
4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 897841
4-(Toluene-4-sulfonylmethyl)-thiazol-2-ylamine
CID 653276
N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide
CID 403571
4-(4-Ethylphenyl)-1,3-thiazol-2-amine
CID 733908

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 748055) is 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is MLWXUOVWRAMXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-12-7-9-14(10-8-12)22(19,20)18-16-17-15(11-21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18).
What are the key properties of 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 748055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).