N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide

C16H14N2O5S — CID 166395238

IUPACN-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide
SMILESN#Cc1occc1S(=O)(=O)NCC1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H14N2O5S/c17-8-14-15(3-6-21-14)24(19,20)18-9-16(4-5-16)11-1-2-12-13(7-11)23-10-22-12/h1-3,6-7,18H,4-5,9-10H2
InChIKeyPRQAWIVSFMPSSL-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.89
Rot. Bonds5

About N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide

N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide (PubChem CID 166395238) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide
PubChem CID166395238
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC NameN-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide
SMILESN#Cc1occc1S(=O)(=O)NCC1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H14N2O5S/c17-8-14-15(3-6-21-14)24(19,20)18-9-16(4-5-16)11-1-2-12-13(7-11)23-10-22-12/h1-3,6-7,18H,4-5,9-10H2
InChIKeyPRQAWIVSFMPSSL-UHFFFAOYSA-N
XLogP1.89
TPSA101.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-sulfonamide
CID 105984295
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]furan-2-sulfonamide
CID 136534230
3-(1,3-Benzodioxol-5-yl)-2-(furan-3-ylsulfonylamino)propanoic acid
CID 167963268

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide?
The IUPAC name of N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide (CID 166395238) is N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide.
What is the SMILES notation for N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide?
The canonical SMILES for N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide is N#Cc1occc1S(=O)(=O)NCC1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide?
The InChIKey is PRQAWIVSFMPSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c17-8-14-15(3-6-21-14)24(19,20)18-9-16(4-5-16)11-1-2-12-13(7-11)23-10-22-12/h1-3,6-7,18H,4-5,9-10H2.
What are the key properties of N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide?
N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide has a molecular weight of 346.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-cyanofuran-3-sulfonamide is sourced from PubChem (CID 166395238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).