N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline

C11H16FNO2S — CID 115921635

IUPACN-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline
SMILESCCS(=O)(=O)CC(C)Nc1ccccc1F
InChIInChI=1S/C11H16FNO2S/c1-3-16(14,15)8-9(2)13-11-7-5-4-6-10(11)12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyKUKMQWJBJFNXTR-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.06
Rot. Bonds5

About N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline

N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline (PubChem CID 115921635) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline
PubChem CID115921635
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline
SMILESCCS(=O)(=O)CC(C)Nc1ccccc1F
InChIInChI=1S/C11H16FNO2S/c1-3-16(14,15)8-9(2)13-11-7-5-4-6-10(11)12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyKUKMQWJBJFNXTR-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylsulfonylpropan-2-ylamino)-6-fluorobenzonitrile
CID 56789855
2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline
CID 115929080
1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol
CID 113494512
N-(1-ethylsulfonylpropan-2-yl)-2,5-difluoro-4-methylaniline
CID 103584982
N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine
CID 115922122
N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline
CID 115916758
2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline
CID 93283017
4-(2-fluoroanilino)pentan-1-ol
CID 115975993
2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline
CID 107757559
N-butan-2-yl-2-(2-fluoroanilino)propanamide
CID 43113405
1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine
CID 115900838
2-(2-fluoroanilino)-N-pentan-2-ylpropanamide
CID 43113411

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline (CID 115921635) is N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline is CCS(=O)(=O)CC(C)Nc1ccccc1F.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline?
The InChIKey is KUKMQWJBJFNXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-3-16(14,15)8-9(2)13-11-7-5-4-6-10(11)12/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline?
N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline has a molecular weight of 245.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline is sourced from PubChem (CID 115921635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).