N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

C17H16N2O3S2 — CID 9330105

IUPACN-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1
InChIInChI=1S/C17H16N2O3S2/c1-22-15-9-5-13(6-10-15)17-18-16(11-23-17)12-3-7-14(8-4-12)19-24(2,20)21/h3-11,19H,1-2H3
InChIKeyHGNVKXFQOSLGEH-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.86
Rot. Bonds5

About N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 9330105) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID9330105
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1
InChIInChI=1S/C17H16N2O3S2/c1-22-15-9-5-13(6-10-15)17-18-16(11-23-17)12-3-7-14(8-4-12)19-24(2,20)21/h3-11,19H,1-2H3
InChIKeyHGNVKXFQOSLGEH-UHFFFAOYSA-N
XLogP3.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 32500964
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
N-[4-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 122159919
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 24568443
N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 60528746
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
2,5-dimethoxy-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 108784145
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 108784171
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 9330105) is N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is COc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1.
What is the InChIKey of N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is HGNVKXFQOSLGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-22-15-9-5-13(6-10-15)17-18-16(11-23-17)12-3-7-14(8-4-12)19-24(2,20)21/h3-11,19H,1-2H3.
What are the key properties of N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 360.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 9330105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).