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

C14H10F2N2O3S2 — CID 2739886

IUPACN-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1F)c1ccc(-c2ccon2)s1
InChIInChI=1S/C14H10F2N2O3S2/c15-10-2-1-9(11(16)7-10)8-17-23(19,20)14-4-3-13(22-14)12-5-6-21-18-12/h1-7,17H,8H2
InChIKeyLOBQLTWSAHBROA-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.16
Rot. Bonds5

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

N-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (PubChem CID 2739886) has the molecular formula C14H10F2N2O3S2 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
PubChem CID2739886
Molecular FormulaC14H10F2N2O3S2
Molecular Weight356.38 g/mol
Exact Mass356.01
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1F)c1ccc(-c2ccon2)s1
InChIInChI=1S/C14H10F2N2O3S2/c15-10-2-1-9(11(16)7-10)8-17-23(19,20)14-4-3-13(22-14)12-5-6-21-18-12/h1-7,17H,8H2
InChIKeyLOBQLTWSAHBROA-UHFFFAOYSA-N
XLogP3.16
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.16
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)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (CID 2739886) is N-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(F)cc1F)c1ccc(-c2ccon2)s1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is LOBQLTWSAHBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3S2/c15-10-2-1-9(11(16)7-10)8-17-23(19,20)14-4-3-13(22-14)12-5-6-21-18-12/h1-7,17H,8H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
N-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 356.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2739886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).