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

C24H22N2O2S2 — CID 169372428

IUPACN-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4cc(C)ccc4C)cs3)c2)cc1
InChIInChI=1S/C24H22N2O2S2/c1-16-8-11-21(12-9-16)30(27,28)26-20-6-4-5-19(14-20)24-25-23(15-29-24)22-13-17(2)7-10-18(22)3/h4-15,26H,1-3H3
InChIKeyKLAUBQZTHGFWCA-UHFFFAOYSA-N
MW434.59 g/mol
LogP6.20
Rot. Bonds5

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

N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 169372428) has the molecular formula C24H22N2O2S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
PubChem CID169372428
Molecular FormulaC24H22N2O2S2
Molecular Weight434.59 g/mol
Exact Mass434.11
IUPAC NameN-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4cc(C)ccc4C)cs3)c2)cc1
InChIInChI=1S/C24H22N2O2S2/c1-16-8-11-21(12-9-16)30(27,28)26-20-6-4-5-19(14-20)24-25-23(15-29-24)22-13-17(2)7-10-18(22)3/h4-15,26H,1-3H3
InChIKeyKLAUBQZTHGFWCA-UHFFFAOYSA-N
XLogP6.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 7510361
4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620529
3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270
3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041538
5-[[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168539824
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122286129
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983740
4-methyl-3,5-dinitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 46497692

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide (CID 169372428) is N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4cc(C)ccc4C)cs3)c2)cc1.
What is the InChIKey of N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is KLAUBQZTHGFWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S2/c1-16-8-11-21(12-9-16)30(27,28)26-20-6-4-5-19(14-20)24-25-23(15-29-24)22-13-17(2)7-10-18(22)3/h4-15,26H,1-3H3.
What are the key properties of N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide?
N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 434.59 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).