4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide

C11H9F3N2O3S2 — CID 656127

IUPAC4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C11H9F3N2O3S2/c1-19-7-2-4-8(5-3-7)21(17,18)16-10-15-9(6-20-10)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyUYDCDUZYAAMNOA-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.97
Rot. Bonds4

About 4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide

4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 656127) has the molecular formula C11H9F3N2O3S2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID656127
Molecular FormulaC11H9F3N2O3S2
Molecular Weight338.33 g/mol
Exact Mass338.00
IUPAC Name4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C11H9F3N2O3S2/c1-19-7-2-4-8(5-3-7)21(17,18)16-10-15-9(6-20-10)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyUYDCDUZYAAMNOA-UHFFFAOYSA-N
XLogP2.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 74227200
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366043
4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 2441401
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109088
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 25405503
2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 116891702
N-(2-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109102
4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 750627
4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35523784
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109107
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzenesulfonamide
CID 19203791
4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 25405477

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 656127) is 4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is UYDCDUZYAAMNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3S2/c1-19-7-2-4-8(5-3-7)21(17,18)16-10-15-9(6-20-10)11(12,13)14/h2-6H,1H3,(H,15,16).
What are the key properties of 4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 338.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 656127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).