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

C9H9ClN2O3S2 — CID 91651936

IUPAC5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnoc2C)sc1Cl
InChIInChI=1S/C9H9ClN2O3S2/c1-5-3-8(16-9(5)10)17(13,14)12-7-4-11-15-6(7)2/h3-4,12H,1-2H3
InChIKeyYJCKMLGTSCUWIX-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.81
Rot. Bonds3

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

5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide (PubChem CID 91651936) has the molecular formula C9H9ClN2O3S2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide
PubChem CID91651936
Molecular FormulaC9H9ClN2O3S2
Molecular Weight292.77 g/mol
Exact Mass291.97
IUPAC Name5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnoc2C)sc1Cl
InChIInChI=1S/C9H9ClN2O3S2/c1-5-3-8(16-9(5)10)17(13,14)12-7-4-11-15-6(7)2/h3-4,12H,1-2H3
InChIKeyYJCKMLGTSCUWIX-UHFFFAOYSA-N
XLogP2.81
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide (CID 91651936) is 5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cnoc2C)sc1Cl.
What is the InChIKey of 5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is YJCKMLGTSCUWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S2/c1-5-3-8(16-9(5)10)17(13,14)12-7-4-11-15-6(7)2/h3-4,12H,1-2H3.
What are the key properties of 5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide?
5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 292.77 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 91651936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).