1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide

C14H17ClN2O4S — CID 146103326

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide
SMILESCC(C)(C)c1cc(CS(=O)(=O)Nc2cc(O)ccc2Cl)no1
InChIInChI=1S/C14H17ClN2O4S/c1-14(2,3)13-6-9(16-21-13)8-22(19,20)17-12-7-10(18)4-5-11(12)15/h4-7,17-18H,8H2,1-3H3
InChIKeySGWNKQLHTHYCJB-UHFFFAOYSA-N
MW344.82 g/mol
LogP3.27
Rot. Bonds4

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide

1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide (PubChem CID 146103326) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide
PubChem CID146103326
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide
SMILESCC(C)(C)c1cc(CS(=O)(=O)Nc2cc(O)ccc2Cl)no1
InChIInChI=1S/C14H17ClN2O4S/c1-14(2,3)13-6-9(16-21-13)8-22(19,20)17-12-7-10(18)4-5-11(12)15/h4-7,17-18H,8H2,1-3H3
InChIKeySGWNKQLHTHYCJB-UHFFFAOYSA-N
XLogP3.27
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide (CID 146103326) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide is CC(C)(C)c1cc(CS(=O)(=O)Nc2cc(O)ccc2Cl)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide?
The InChIKey is SGWNKQLHTHYCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-14(2,3)13-6-9(16-21-13)8-22(19,20)17-12-7-10(18)4-5-11(12)15/h4-7,17-18H,8H2,1-3H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide?
1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide has a molecular weight of 344.82 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-(2-chloro-5-hydroxyphenyl)methanesulfonamide is sourced from PubChem (CID 146103326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).