N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

C18H18N2O2S2 — CID 7202336

IUPACN-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N2O2S2/c1-14-17(23-18(20-14)15-8-4-2-5-9-15)12-13-19-24(21,22)16-10-6-3-7-11-16/h2-11,19H,12-13H2,1H3
InChIKeyNHDJOCCFNFDSFU-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 7202336) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID7202336
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N2O2S2/c1-14-17(23-18(20-14)15-8-4-2-5-9-15)12-13-19-24(21,22)16-10-6-3-7-11-16/h2-11,19H,12-13H2,1H3
InChIKeyNHDJOCCFNFDSFU-UHFFFAOYSA-N
XLogP3.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (CID 7202336) is N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is Cc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is NHDJOCCFNFDSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-14-17(23-18(20-14)15-8-4-2-5-9-15)12-13-19-24(21,22)16-10-6-3-7-11-16/h2-11,19H,12-13H2,1H3.
What are the key properties of N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 358.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7202336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).