N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide

C14H9N3O3S2 — CID 53111985

IUPACN-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2ccc(-c3ccno3)s2)c1
InChIInChI=1S/C14H9N3O3S2/c15-9-10-2-1-3-11(8-10)17-22(18,19)14-5-4-13(21-14)12-6-7-16-20-12/h1-8,17H
InChIKeyXPJGUTLXKIAENO-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.08
Rot. Bonds4

About N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide

N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 53111985) has the molecular formula C14H9N3O3S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID53111985
Molecular FormulaC14H9N3O3S2
Molecular Weight331.38 g/mol
Exact Mass331.01
IUPAC NameN-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2ccc(-c3ccno3)s2)c1
InChIInChI=1S/C14H9N3O3S2/c15-9-10-2-1-3-11(8-10)17-22(18,19)14-5-4-13(21-14)12-6-7-16-20-12/h1-8,17H
InChIKeyXPJGUTLXKIAENO-UHFFFAOYSA-N
XLogP3.08
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111983
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 67970688
N-(2-methoxyphenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112015
5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide
CID 112990005
N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide
CID 112990004
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
CID 47154362
N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51043927
2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
CID 26979574
4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide
CID 116527479
N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607007
methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341364

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 53111985) is N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is N#Cc1cccc(NS(=O)(=O)c2ccc(-c3ccno3)s2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is XPJGUTLXKIAENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3S2/c15-9-10-2-1-3-11(8-10)17-22(18,19)14-5-4-13(21-14)12-6-7-16-20-12/h1-8,17H.
What are the key properties of N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 331.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53111985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).