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

C22H18N2O2S2 — CID 2896660

IUPAC4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C22H18N2O2S2/c1-16-7-13-20(14-8-16)28(25,26)24-19-11-9-17(10-12-19)21-15-27-22(23-21)18-5-3-2-4-6-18/h2-15,24H,1H3
InChIKeyHZFLKGBTYDTOFI-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.59
Rot. Bonds5

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

4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 2896660) has the molecular formula C22H18N2O2S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID2896660
Molecular FormulaC22H18N2O2S2
Molecular Weight406.53 g/mol
Exact Mass406.08
IUPAC Name4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C22H18N2O2S2/c1-16-7-13-20(14-8-16)28(25,26)24-19-11-9-17(10-12-19)21-15-27-22(23-21)18-5-3-2-4-6-18/h2-15,24H,1H3
InChIKeyHZFLKGBTYDTOFI-UHFFFAOYSA-N
XLogP5.59
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 73507388
2-Methyl-4-(4-aminophenyl)thiazole
CID 152684
N-(3-Methylbutyl)-4-(2-Methyl-1,3-Thiazol-4-Yl)benzenesulfonamide
CID 74766015
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 748055
1-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azepane
CID 888109
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 892402
4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 1239093
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 3863948
4-(2-Methyl-4-phenyl-thiazol-5-yl)-benzenesulfonamide
CID 10019555
4-(2-Methyl-5-phenyl-thiazol-4-yl)-benzenesulfonamide
CID 17816357
4-[4-[3-[(2,4-Difluorophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide
CID 18672193
2-Ethyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole
CID 22911810

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 2896660) is 4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is HZFLKGBTYDTOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S2/c1-16-7-13-20(14-8-16)28(25,26)24-19-11-9-17(10-12-19)21-15-27-22(23-21)18-5-3-2-4-6-18/h2-15,24H,1H3.
What are the key properties of 4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 406.53 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2896660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).