N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H14N2O4S — CID 2813979

IUPACN-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H14N2O4S/c1-8-12(9(2)18-13-8)19(16,17)14-11-5-3-4-10(6-11)7-15/h3-6,14-15H,7H2,1-2H3
InChIKeyMBEGMRMQFWQYLH-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.58
Rot. Bonds4

About N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 2813979) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID2813979
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC NameN-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H14N2O4S/c1-8-12(9(2)18-13-8)19(16,17)14-11-5-3-4-10(6-11)7-15/h3-6,14-15H,7H2,1-2H3
InChIKeyMBEGMRMQFWQYLH-UHFFFAOYSA-N
XLogP1.58
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 2813979) is N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MBEGMRMQFWQYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-8-12(9(2)18-13-8)19(16,17)14-11-5-3-4-10(6-11)7-15/h3-6,14-15H,7H2,1-2H3.
What are the key properties of N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 282.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 2813979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).