N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

C15H13FN2O3S2 — CID 20936257

IUPACN-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(F)c3)s2)on1
InChIInChI=1S/C15H13FN2O3S2/c1-9-3-4-11(8-12(9)16)18-23(19,20)15-6-5-14(22-15)13-7-10(2)17-21-13/h3-8,18H,1-2H3
InChIKeyMPJDDUZSHDGGSO-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.96
Rot. Bonds4

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

N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 20936257) has the molecular formula C15H13FN2O3S2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID20936257
Molecular FormulaC15H13FN2O3S2
Molecular Weight352.41 g/mol
Exact Mass352.04
IUPAC NameN-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(F)c3)s2)on1
InChIInChI=1S/C15H13FN2O3S2/c1-9-3-4-11(8-12(9)16)18-23(19,20)15-6-5-14(22-15)13-7-10(2)17-21-13/h3-8,18H,1-2H3
InChIKeyMPJDDUZSHDGGSO-UHFFFAOYSA-N
XLogP3.96
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180
5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8501268
5-(3-methyl-1,2-oxazol-5-yl)-N-pyridin-2-ylthiophene-2-sulfonamide
CID 20936287
N-(2-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936284
ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 20936192
5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026479
2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 28546366
5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid
CID 87522048
methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341377
ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950037
N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079301
N-(2-ethoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936262

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 20936257) is N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(F)c3)s2)on1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is MPJDDUZSHDGGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S2/c1-9-3-4-11(8-12(9)16)18-23(19,20)15-6-5-14(22-15)13-7-10(2)17-21-13/h3-8,18H,1-2H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 352.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20936257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).