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

C14H10F2N2O3S2 — CID 53079453

IUPACN-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O3S2/c1-8-14(7-13(22-8)12-4-5-17-21-12)23(19,20)18-11-3-2-9(15)6-10(11)16/h2-7,18H,1H3
InChIKeyOGYJUNRZWHBDBZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.79
Rot. Bonds4

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

N-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53079453) has the molecular formula C14H10F2N2O3S2 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53079453
Molecular FormulaC14H10F2N2O3S2
Molecular Weight356.38 g/mol
Exact Mass356.01
IUPAC NameN-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O3S2/c1-8-14(7-13(22-8)12-4-5-17-21-12)23(19,20)18-11-3-2-9(15)6-10(11)16/h2-7,18H,1H3
InChIKeyOGYJUNRZWHBDBZ-UHFFFAOYSA-N
XLogP3.79
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53079453) is N-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1sc(-c2ccno2)cc1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is OGYJUNRZWHBDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3S2/c1-8-14(7-13(22-8)12-4-5-17-21-12)23(19,20)18-11-3-2-9(15)6-10(11)16/h2-7,18H,1H3.
What are the key properties of N-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 356.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53079453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).