3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan

C12H11N3O4S — CID 66746735

IUPAC3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan
SMILESN#Cc1c(NS(N)(=O)=O)cccc1OCc1ccoc1
InChIInChI=1S/C12H11N3O4S/c13-6-10-11(15-20(14,16)17)2-1-3-12(10)19-8-9-4-5-18-7-9/h1-5,7,15H,8H2,(H2,14,16,17)
InChIKeyVRCXNOJOCBLHKN-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.35
Rot. Bonds5

About 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan

3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan (PubChem CID 66746735) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan.

Molecular Properties

Compound Name3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan
PubChem CID66746735
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan
SMILESN#Cc1c(NS(N)(=O)=O)cccc1OCc1ccoc1
InChIInChI=1S/C12H11N3O4S/c13-6-10-11(15-20(14,16)17)2-1-3-12(10)19-8-9-4-5-18-7-9/h1-5,7,15H,8H2,(H2,14,16,17)
InChIKeyVRCXNOJOCBLHKN-UHFFFAOYSA-N
XLogP1.35
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole
CID 66746103
5-[2-cyano-3-(sulfamoylamino)phenoxy]pentylsulfamic acid
CID 150470910
4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane
CID 66746174
1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene
CID 151507260
2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide
CID 86714295
2-(furan-3-ylmethoxy)phenol
CID 83172625
2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene
CID 67399845
3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-1-(3-methylbutanoyl)piperidine
CID 90038917
(3R)-3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-1-(3-methylbutanoyl)piperidine
CID 90071394
2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene
CID 142767218
3-[(2-fluoro-3-methylphenoxy)methyl]furan
CID 107661892
2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene
CID 67399580

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan?
The IUPAC name of 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan (CID 66746735) is 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan.
What is the SMILES notation for 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan?
The canonical SMILES for 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan is N#Cc1c(NS(N)(=O)=O)cccc1OCc1ccoc1.
What is the InChIKey of 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan?
The InChIKey is VRCXNOJOCBLHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c13-6-10-11(15-20(14,16)17)2-1-3-12(10)19-8-9-4-5-18-7-9/h1-5,7,15H,8H2,(H2,14,16,17).
What are the key properties of 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan?
3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan has a molecular weight of 293.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan is sourced from PubChem (CID 66746735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).