N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide

C14H10F2N2O4S2 — CID 21039564

IUPACN-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(-c2ccno2)s1
InChIInChI=1S/C14H10F2N2O4S2/c15-14(16)21-10-3-1-9(2-4-10)18-24(19,20)13-6-5-12(23-13)11-7-8-17-22-11/h1-8,14,18H
InChIKeyDWVMNMQOIQWVCQ-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.81
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide

N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 21039564) has the molecular formula C14H10F2N2O4S2 and a molecular weight of 372.37 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID21039564
Molecular FormulaC14H10F2N2O4S2
Molecular Weight372.37 g/mol
Exact Mass372.01
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(-c2ccno2)s1
InChIInChI=1S/C14H10F2N2O4S2/c15-14(16)21-10-3-1-9(2-4-10)18-24(19,20)13-6-5-12(23-13)11-7-8-17-22-11/h1-8,14,18H
InChIKeyDWVMNMQOIQWVCQ-UHFFFAOYSA-N
XLogP3.81
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 21039564) is N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(-c2ccno2)s1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is DWVMNMQOIQWVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O4S2/c15-14(16)21-10-3-1-9(2-4-10)18-24(19,20)13-6-5-12(23-13)11-7-8-17-22-11/h1-8,14,18H.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 372.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 21039564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).