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

C17H16N2O2S2 — CID 110444632

IUPACN-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1csc(-c2ccccc2CNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C17H16N2O2S2/c1-13-12-22-17(19-13)16-10-6-5-7-14(16)11-18-23(20,21)15-8-3-2-4-9-15/h2-10,12,18H,11H2,1H3
InChIKeyDRFHROXXJMIWQL-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.60
Rot. Bonds5

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

N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 110444632) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
PubChem CID110444632
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1csc(-c2ccccc2CNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C17H16N2O2S2/c1-13-12-22-17(19-13)16-10-6-5-7-14(16)11-18-23(20,21)15-8-3-2-4-9-15/h2-10,12,18H,11H2,1H3
InChIKeyDRFHROXXJMIWQL-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-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774062
1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea
CID 110443864
2-methyl-N-[(2-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835609
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17101265
3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 110442520
2-[4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]phenyl]acetic acid
CID 61043593
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 166611174
4-tert-butyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597107
N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 129241457
N-[(1-aminocyclohexyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;hydrochloride
CID 120998697
N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 2811533
4-methyl-N-[[2-[2-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]methyl]benzenesulfonamide
CID 162416222

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide (CID 110444632) is N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide is Cc1csc(-c2ccccc2CNS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is DRFHROXXJMIWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-13-12-22-17(19-13)16-10-6-5-7-14(16)11-18-23(20,21)15-8-3-2-4-9-15/h2-10,12,18H,11H2,1H3.
What are the key properties of N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
N-[[2-(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-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 110444632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).