N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide

C13H12N2O5S — CID 46292504

IUPACN-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
SMILESCc1oc(-c2ccno2)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C13H12N2O5S/c1-9-13(7-12(19-9)11-4-5-14-20-11)21(16,17)15-8-10-3-2-6-18-10/h2-7,15H,8H2,1H3
InChIKeyVXCWRGKHKKXMDQ-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.31
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide

N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide (PubChem CID 46292504) has the molecular formula C13H12N2O5S and a molecular weight of 308.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
PubChem CID46292504
Molecular FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
SMILESCc1oc(-c2ccno2)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C13H12N2O5S/c1-9-13(7-12(19-9)11-4-5-14-20-11)21(16,17)15-8-10-3-2-6-18-10/h2-7,15H,8H2,1H3
InChIKeyVXCWRGKHKKXMDQ-UHFFFAOYSA-N
XLogP2.31
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)furan-3-sulfonamide
CID 46292566
N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183075
N-(3-chlorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292481
N,N-diethyl-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292588
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 105120080
5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106424034
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53104479
ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate
CID 46292533
5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 934715

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide (CID 46292504) is N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide is Cc1oc(-c2ccno2)cc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide?
The InChIKey is VXCWRGKHKKXMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-9-13(7-12(19-9)11-4-5-14-20-11)21(16,17)15-8-10-3-2-6-18-10/h2-7,15H,8H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide?
N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide has a molecular weight of 308.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide is sourced from PubChem (CID 46292504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).