N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide

C13H18FNO2S — CID 107398325

IUPACN-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-2-15(10-11-6-5-7-11)18(16,17)13-9-4-3-8-12(13)14/h3-4,8-9,11H,2,5-7,10H2,1H3
InChIKeyCEPISMHCPNLOIV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.64
Rot. Bonds5

About N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide

N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide (PubChem CID 107398325) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
PubChem CID107398325
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-2-15(10-11-6-5-7-11)18(16,17)13-9-4-3-8-12(13)14/h3-4,8-9,11H,2,5-7,10H2,1H3
InChIKeyCEPISMHCPNLOIV-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide
CID 107402685
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107402875
N-[[4-[(Z)-2-(2,6-difluorophenyl)-2-(ethyldiazenyl)ethenyl]cycloheptyl]methyl]-N-ethyl-2-fluorobenzenesulfonamide;ethane
CID 145182937
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
CID 107397041
2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63955952
N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 80675750
N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
CID 91216358
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,3-difluorobenzenesulfonamide
CID 107402876
N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 115279924

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide (CID 107398325) is N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide is CCN(CC1CCC1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide?
The InChIKey is CEPISMHCPNLOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-2-15(10-11-6-5-7-11)18(16,17)13-9-4-3-8-12(13)14/h3-4,8-9,11H,2,5-7,10H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide?
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide has a molecular weight of 271.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 107398325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).