N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

C16H12ClF3N2O5S2 — CID 50840041

IUPACN-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1cc(Cl)c(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)c(OC)c1
InChIInChI=1S/C16H12ClF3N2O5S2/c1-25-9-4-10(17)15(12(5-9)26-2)22-29(23,24)14-3-8(7-28-14)11-6-13(27-21-11)16(18,19)20/h3-7,22H,1-2H3
InChIKeyWMLWEGSBMKVETM-UHFFFAOYSA-N
MW468.86 g/mol
LogP4.89
Rot. Bonds6

About N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 50840041) has the molecular formula C16H12ClF3N2O5S2 and a molecular weight of 468.86 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID50840041
Molecular FormulaC16H12ClF3N2O5S2
Molecular Weight468.86 g/mol
Exact Mass467.98
IUPAC NameN-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1cc(Cl)c(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)c(OC)c1
InChIInChI=1S/C16H12ClF3N2O5S2/c1-25-9-4-10(17)15(12(5-9)26-2)22-29(23,24)14-3-8(7-28-14)11-6-13(27-21-11)16(18,19)20/h3-7,22H,1-2H3
InChIKeyWMLWEGSBMKVETM-UHFFFAOYSA-N
XLogP4.89
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.86
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 46396342
3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 50840132
N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 92884993
N-(3-chloro-4-methylphenyl)-2-methoxy-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396248
N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935961
N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935555
N-(2-chloro-4,6-dimethoxyphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094946
N-(2-chloro-4,6-dimethoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
CID 53117901
N-(5-chloro-2,4-dimethoxyphenyl)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53042739
3-[5-(4-benzylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 50840219
N-(2-methoxyphenyl)-2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50839452
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50839615

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 50840041) is N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is COc1cc(Cl)c(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)c(OC)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is WMLWEGSBMKVETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O5S2/c1-25-9-4-10(17)15(12(5-9)26-2)22-29(23,24)14-3-8(7-28-14)11-6-13(27-21-11)16(18,19)20/h3-7,22H,1-2H3.
What are the key properties of N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 468.86 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 50840041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).