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

C15H11N3O3S2 — CID 24793726

IUPACN-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)s2)on1
InChIInChI=1S/C15H11N3O3S2/c1-10-8-13(21-17-10)14-6-7-15(22-14)23(19,20)18-12-4-2-11(9-16)3-5-12/h2-8,18H,1H3
InChIKeyYJPNOQGGJJHKFW-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.38
Rot. Bonds4

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

N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 24793726) has the molecular formula C15H11N3O3S2 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID24793726
Molecular FormulaC15H11N3O3S2
Molecular Weight345.41 g/mol
Exact Mass345.02
IUPAC NameN-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)s2)on1
InChIInChI=1S/C15H11N3O3S2/c1-10-8-13(21-17-10)14-6-7-15(22-14)23(19,20)18-12-4-2-11(9-16)3-5-12/h2-8,18H,1H3
InChIKeyYJPNOQGGJJHKFW-UHFFFAOYSA-N
XLogP3.38
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 24793726) is N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)s2)on1.
What is the InChIKey of N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is YJPNOQGGJJHKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S2/c1-10-8-13(21-17-10)14-6-7-15(22-14)23(19,20)18-12-4-2-11(9-16)3-5-12/h2-8,18H,1H3.
What are the key properties of N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 345.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 24793726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).