1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide

C10H11FN2O3S — CID 113399764

IUPAC1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CC#N)cc1F
InChIInChI=1S/C10H11FN2O3S/c1-2-16-10-4-3-8(7-9(10)11)13-17(14,15)6-5-12/h3-4,7,13H,2,6H2,1H3
InChIKeyYDVQYSXWAOFZDU-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.49
Rot. Bonds5

About 1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide

1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide (PubChem CID 113399764) has the molecular formula C10H11FN2O3S and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide
PubChem CID113399764
Molecular FormulaC10H11FN2O3S
Molecular Weight258.27 g/mol
Exact Mass258.05
IUPAC Name1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CC#N)cc1F
InChIInChI=1S/C10H11FN2O3S/c1-2-16-10-4-3-8(7-9(10)11)13-17(14,15)6-5-12/h3-4,7,13H,2,6H2,1H3
InChIKeyYDVQYSXWAOFZDU-UHFFFAOYSA-N
XLogP1.49
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide
CID 110777401
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide
CID 110777486
6-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-sulfonamide
CID 115588666
N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115620973
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
N-(2-chloroethyl)-4-ethoxy-3-fluoroaniline
CID 115214595
5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56797689

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide (CID 113399764) is 1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide is CCOc1ccc(NS(=O)(=O)CC#N)cc1F.
What is the InChIKey of 1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide?
The InChIKey is YDVQYSXWAOFZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3S/c1-2-16-10-4-3-8(7-9(10)11)13-17(14,15)6-5-12/h3-4,7,13H,2,6H2,1H3.
What are the key properties of 1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide?
1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide has a molecular weight of 258.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 113399764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).