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

C17H16N2O2S2 — CID 60620529

IUPAC4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(C)c(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)c1
InChIInChI=1S/C17H16N2O2S2/c1-11-3-4-12(2)15(9-11)16-10-22-17(19-16)13-5-7-14(8-6-13)23(18,20)21/h3-10H,1-2H3,(H2,18,20,21)
InChIKeyKMQYXEGYNVHJOO-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.74
Rot. Bonds3

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

4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 60620529) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID60620529
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(C)c(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)c1
InChIInChI=1S/C17H16N2O2S2/c1-11-3-4-12(2)15(9-11)16-10-22-17(19-16)13-5-7-14(8-6-13)23(18,20)21/h3-10H,1-2H3,(H2,18,20,21)
InChIKeyKMQYXEGYNVHJOO-UHFFFAOYSA-N
XLogP3.74
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 169372428
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620531
[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983740
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 7510361
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 166436069
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 43173625
methane;4-methylbenzenesulfonamide
CID 66673954
4-(4-methyl-3-nitrophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 19096613
4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide
CID 23451076
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
2-bromo-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 39164069

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 60620529) is 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is Cc1ccc(C)c(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)c1.
What is the InChIKey of 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is KMQYXEGYNVHJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-11-3-4-12(2)15(9-11)16-10-22-17(19-16)13-5-7-14(8-6-13)23(18,20)21/h3-10H,1-2H3,(H2,18,20,21).
What are the key properties of 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 344.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 60620529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).