N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

C16H15FN2O3S2 — CID 53057200

IUPACN-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(F)cc2)on1
InChIInChI=1S/C16H15FN2O3S2/c1-9-8-14(22-18-9)15-10(2)23-11(3)16(15)24(20,21)19-13-6-4-12(17)5-7-13/h4-8,19H,1-3H3
InChIKeyNADKIWZNMUKNDZ-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.27
Rot. Bonds4

About N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53057200) has the molecular formula C16H15FN2O3S2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53057200
Molecular FormulaC16H15FN2O3S2
Molecular Weight366.44 g/mol
Exact Mass366.05
IUPAC NameN-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(F)cc2)on1
InChIInChI=1S/C16H15FN2O3S2/c1-9-8-14(22-18-9)15-10(2)23-11(3)16(15)24(20,21)19-13-6-4-12(17)5-7-13/h4-8,19H,1-3H3
InChIKeyNADKIWZNMUKNDZ-UHFFFAOYSA-N
XLogP4.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057236
N-(2-bromo-4-methylphenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057224
N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057069
N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057188
N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057186
N-(2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057084
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 18128241
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 53057307
N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057098
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53155132
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936257
N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53057200) is N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(F)cc2)on1.
What is the InChIKey of N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is NADKIWZNMUKNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S2/c1-9-8-14(22-18-9)15-10(2)23-11(3)16(15)24(20,21)19-13-6-4-12(17)5-7-13/h4-8,19H,1-3H3.
What are the key properties of N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 366.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53057200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).