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

C12H14N2O4S — CID 60640605

IUPACN-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccccc1CO
InChIInChI=1S/C12H14N2O4S/c1-8-12(9(2)18-13-8)19(16,17)14-11-6-4-3-5-10(11)7-15/h3-6,14-15H,7H2,1-2H3
InChIKeyFZEFDMFMZIBYIX-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.58
Rot. Bonds4

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

N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 60640605) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID60640605
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC NameN-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccccc1CO
InChIInChI=1S/C12H14N2O4S/c1-8-12(9(2)18-13-8)19(16,17)14-11-6-4-3-5-10(11)7-15/h3-6,14-15H,7H2,1-2H3
InChIKeyFZEFDMFMZIBYIX-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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Related Compounds

N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986500
N-(3-iodo-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113368492
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 31754465
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-6-methylbenzenecarbothioamide
CID 107799090
2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 53352077
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986818
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 90626953
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-6-fluorobenzenecarbothioamide
CID 43581042
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide
CID 8842702
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110408001
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112983434
N-(2-amino-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43259158

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 60640605) is N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccccc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is FZEFDMFMZIBYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-8-12(9(2)18-13-8)19(16,17)14-11-6-4-3-5-10(11)7-15/h3-6,14-15H,7H2,1-2H3.
What are the key properties of N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(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-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 60640605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).