5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid

C13H14N2O5S — CID 29077623

IUPAC5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H14N2O5S/c1-15(9-7-10-4-2-3-8-14-10)21(18,19)12-6-5-11(20-12)13(16)17/h2-6,8H,7,9H2,1H3,(H,16,17)
InChIKeyDXVVUNUAAJHPPZ-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.24
Rot. Bonds6

About 5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid

5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 29077623) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID29077623
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H14N2O5S/c1-15(9-7-10-4-2-3-8-14-10)21(18,19)12-6-5-11(20-12)13(16)17/h2-6,8H,7,9H2,1H3,(H,16,17)
InChIKeyDXVVUNUAAJHPPZ-UHFFFAOYSA-N
XLogP1.24
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 79486620
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid
CID 28774366
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol
CID 113372422
2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
CID 117042811
5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79084352
N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 55353222
N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 52552426

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid (CID 29077623) is 5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid is CN(CCc1ccccn1)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is DXVVUNUAAJHPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-15(9-7-10-4-2-3-8-14-10)21(18,19)12-6-5-11(20-12)13(16)17/h2-6,8H,7,9H2,1H3,(H,16,17).
What are the key properties of 5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid?
5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 29077623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).