N-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

C17H16N2O3S2 — CID 10522547

IUPACN-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(O)c(C)c3)cs2)cc1
InChIInChI=1S/C17H16N2O3S2/c1-11-3-6-14(7-4-11)24(21,22)19-17-18-15(10-23-17)13-5-8-16(20)12(2)9-13/h3-10,20H,1-2H3,(H,18,19)
InChIKeyJNLUXBUTTJOENI-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.93
Rot. Bonds4

About N-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

N-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 10522547) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID10522547
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(O)c(C)c3)cs2)cc1
InChIInChI=1S/C17H16N2O3S2/c1-11-3-6-14(7-4-11)24(21,22)19-17-18-15(10-23-17)13-5-8-16(20)12(2)9-13/h3-10,20H,1-2H3,(H,18,19)
InChIKeyJNLUXBUTTJOENI-UHFFFAOYSA-N
XLogP3.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Amino-1,3-thiazol-4-yl)phenol
CID 346926
2-(2-Amino-1,3-thiazol-4-yl)phenol
CID 605966
4-{2-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-N,N-dimethylbenzenesulfonamide
CID 135548673
4-(2-Amino-1,3-thiazol-4-yl)benzene-1,3-diol
CID 767450
4-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
CID 2175556
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamide
CID 2400649
4-{[4-(4-Hydroxyphenyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
CID 973041
3-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 162655076
2,6-Ditert-butyl-4-[2-[[3-(trifluoromethyl)phenyl]methylsulfonylmethyl]-1,3-thiazol-4-yl]phenol
CID 2742500
4-[[4-[4-Hydroxy-3-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-methylamino]benzenesulfonamide
CID 137640332
3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)benzenesulfonamide
CID 45266981
2-Benzyl-1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 49860067

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (CID 10522547) is N-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(O)c(C)c3)cs2)cc1.
What is the InChIKey of N-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is JNLUXBUTTJOENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-11-3-6-14(7-4-11)24(21,22)19-17-18-15(10-23-17)13-5-8-16(20)12(2)9-13/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of N-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
N-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 360.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10522547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).