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

C14H10N2O5S2 — CID 53111983

IUPACN-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccno2)s1
InChIInChI=1S/C14H10N2O5S2/c17-23(18,14-4-3-13(22-14)11-5-6-15-21-11)16-9-1-2-10-12(7-9)20-8-19-10/h1-7,16H,8H2
InChIKeyXHQOUJHVNJKWSF-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.93
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 53111983) has the molecular formula C14H10N2O5S2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID53111983
Molecular FormulaC14H10N2O5S2
Molecular Weight350.38 g/mol
Exact Mass350.00
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccno2)s1
InChIInChI=1S/C14H10N2O5S2/c17-23(18,14-4-3-13(22-14)11-5-6-15-21-11)16-9-1-2-10-12(7-9)20-8-19-10/h1-7,16H,8H2
InChIKeyXHQOUJHVNJKWSF-UHFFFAOYSA-N
XLogP2.93
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 169284611
N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111985
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 43332813
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
CID 1296568
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
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
CID 26951283
N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide
CID 3716276
2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide
CID 62163676
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 18092899

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 53111983) is N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccno2)s1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is XHQOUJHVNJKWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5S2/c17-23(18,14-4-3-13(22-14)11-5-6-15-21-11)16-9-1-2-10-12(7-9)20-8-19-10/h1-7,16H,8H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 350.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53111983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).