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

C11H12N2O3S — CID 71935895

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1noc(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12N2O3S/c1-8-11(9(2)16-12-8)13-17(14,15)10-6-4-3-5-7-10/h3-7,13H,1-2H3
InChIKeyCJELNHDDNWDAPY-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.09
Rot. Bonds3

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

N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 71935895) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID71935895
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1noc(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12N2O3S/c1-8-11(9(2)16-12-8)13-17(14,15)10-6-4-3-5-7-10/h3-7,13H,1-2H3
InChIKeyCJELNHDDNWDAPY-UHFFFAOYSA-N
XLogP2.09
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 57275035
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide
CID 51098143
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 53054425
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3,5-dimethylbenzenesulfonamide
CID 138992695
N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine
CID 171986494
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
5-[(1R)-1-(benzenesulfonamido)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368360
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 17490159
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 3370012
N-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 46427382
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide (CID 71935895) is N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide is Cc1noc(C)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is CJELNHDDNWDAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-8-11(9(2)16-12-8)13-17(14,15)10-6-4-3-5-7-10/h3-7,13H,1-2H3.
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 71935895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).