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

C16H16N2O4S — CID 53054353

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCc1noc(C)c1-c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H16N2O4S/c1-11-16(12(2)22-18-11)13-5-7-15(8-6-13)23(19,20)17-10-14-4-3-9-21-14/h3-9,17H,10H2,1-2H3
InChIKeySKXKORZMDXJEDU-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.03
Rot. Bonds5

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

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 53054353) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID53054353
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCc1noc(C)c1-c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H16N2O4S/c1-11-16(12(2)22-18-11)13-5-7-15(8-6-13)23(19,20)17-10-14-4-3-9-21-14/h3-9,17H,10H2,1-2H3
InChIKeySKXKORZMDXJEDU-UHFFFAOYSA-N
XLogP3.03
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2115625
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 8615701
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53054383
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide
CID 110345911
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911419
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 53054425
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 51043991
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 43025997
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide (CID 53054353) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide is Cc1noc(C)c1-c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is SKXKORZMDXJEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-11-16(12(2)22-18-11)13-5-7-15(8-6-13)23(19,20)17-10-14-4-3-9-21-14/h3-9,17H,10H2,1-2H3.
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 53054353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).