4-chloro-3-methyl-1,2-oxazole-5-sulfonamide

C4H5ClN2O3S — CID 151950742

IUPAC4-chloro-3-methyl-1,2-oxazole-5-sulfonamide
SMILESCc1noc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C4H5ClN2O3S/c1-2-3(5)4(10-7-2)11(6,8)9/h1H3,(H2,6,8,9)
InChIKeyTWPCJAHMGJNXFS-UHFFFAOYSA-N
MW196.61 g/mol
LogP0.28
Rot. Bonds1

About 4-chloro-3-methyl-1,2-oxazole-5-sulfonamide

4-chloro-3-methyl-1,2-oxazole-5-sulfonamide (PubChem CID 151950742) has the molecular formula C4H5ClN2O3S and a molecular weight of 196.61 g/mol. Its IUPAC name is 4-chloro-3-methyl-1,2-oxazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-3-methyl-1,2-oxazole-5-sulfonamide
PubChem CID151950742
Molecular FormulaC4H5ClN2O3S
Molecular Weight196.61 g/mol
Exact Mass195.97
IUPAC Name4-chloro-3-methyl-1,2-oxazole-5-sulfonamide
SMILESCc1noc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C4H5ClN2O3S/c1-2-3(5)4(10-7-2)11(6,8)9/h1H3,(H2,6,8,9)
InChIKeyTWPCJAHMGJNXFS-UHFFFAOYSA-N
XLogP0.28
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1,2-oxazole-5-sulfonamide?
The IUPAC name of 4-chloro-3-methyl-1,2-oxazole-5-sulfonamide (CID 151950742) is 4-chloro-3-methyl-1,2-oxazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-3-methyl-1,2-oxazole-5-sulfonamide?
The canonical SMILES for 4-chloro-3-methyl-1,2-oxazole-5-sulfonamide is Cc1noc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 4-chloro-3-methyl-1,2-oxazole-5-sulfonamide?
The InChIKey is TWPCJAHMGJNXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O3S/c1-2-3(5)4(10-7-2)11(6,8)9/h1H3,(H2,6,8,9).
What are the key properties of 4-chloro-3-methyl-1,2-oxazole-5-sulfonamide?
4-chloro-3-methyl-1,2-oxazole-5-sulfonamide has a molecular weight of 196.61 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1,2-oxazole-5-sulfonamide is sourced from PubChem (CID 151950742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).