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

C17H16N2O2S2 — CID 54774062

IUPACN-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1csc(-c2cccc(CNS(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C17H16N2O2S2/c1-13-12-22-17(19-13)15-7-5-6-14(10-15)11-18-23(20,21)16-8-3-2-4-9-16/h2-10,12,18H,11H2,1H3
InChIKeyHJOUXYQPTIIWRQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.60
Rot. Bonds5

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

N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 54774062) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
PubChem CID54774062
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1csc(-c2cccc(CNS(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C17H16N2O2S2/c1-13-12-22-17(19-13)15-7-5-6-14(10-15)11-18-23(20,21)16-8-3-2-4-9-16/h2-10,12,18H,11H2,1H3
InChIKeyHJOUXYQPTIIWRQ-UHFFFAOYSA-N
XLogP3.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 110444632
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide
CID 108782467
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide
CID 108782465
methyl 2-[3-[[(3-bromo-5-methylphenyl)sulfonylamino]methyl]phenyl]-1,3-thiazole-4-carboxylate
CID 166333497
2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774149
N-[(1-aminocyclohexyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;hydrochloride
CID 120998697
4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
2-(4-cyclobutylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]sulfonylacetamide
CID 166333483
N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide
CID 43589421
2-[4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]phenyl]acetic acid
CID 61043593
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722
2-methyl-N-[(2-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835609

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide (CID 54774062) is N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide is Cc1csc(-c2cccc(CNS(=O)(=O)c3ccccc3)c2)n1.
What is the InChIKey of N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is HJOUXYQPTIIWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-13-12-22-17(19-13)15-7-5-6-14(10-15)11-18-23(20,21)16-8-3-2-4-9-16/h2-10,12,18H,11H2,1H3.
What are the key properties of N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 344.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 54774062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).