N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide

C11H12N2O4S — CID 10015852

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(O)cc2)c1C
InChIInChI=1S/C11H12N2O4S/c1-7-8(2)12-17-11(7)13-18(15,16)10-5-3-9(14)4-6-10/h3-6,13-14H,1-2H3
InChIKeyWXHUJRKRFANUNH-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.80
Rot. Bonds3

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide (PubChem CID 10015852) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
PubChem CID10015852
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(O)cc2)c1C
InChIInChI=1S/C11H12N2O4S/c1-7-8(2)12-17-11(7)13-18(15,16)10-5-3-9(14)4-6-10/h3-6,13-14H,1-2H3
InChIKeyWXHUJRKRFANUNH-UHFFFAOYSA-N
XLogP1.80
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
4-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 14973488
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 3765964
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 18617399
4-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 65488716
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzenesulfonamide
CID 65487179
bis(4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide);2-(2-hydroxyethylamino)ethanol
CID 66830855
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19683718
5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid
CID 65486231
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
4-(diethylphosphorylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 134087514
4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 65480976

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide (CID 10015852) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccc(O)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide?
The InChIKey is WXHUJRKRFANUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-7-8(2)12-17-11(7)13-18(15,16)10-5-3-9(14)4-6-10/h3-6,13-14H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide has a molecular weight of 268.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 10015852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).