N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline

C11H16FNO2S — CID 115916758

IUPACN-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline
SMILESCCS(=O)(=O)CC(C)Nc1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-3-16(14,15)8-9(2)13-11-6-4-10(12)5-7-11/h4-7,9,13H,3,8H2,1-2H3
InChIKeySMPWMHDRFQUMSY-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.06
Rot. Bonds5

About N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline

N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline (PubChem CID 115916758) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline
PubChem CID115916758
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline
SMILESCCS(=O)(=O)CC(C)Nc1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-3-16(14,15)8-9(2)13-11-6-4-10(12)5-7-11/h4-7,9,13H,3,8H2,1-2H3
InChIKeySMPWMHDRFQUMSY-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

Analyze N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine
CID 104872087
N-(1-ethylsulfonylpropan-2-yl)-4-(trifluoromethylsulfanyl)aniline
CID 115929075
1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea
CID 95626056
4-fluoro-N-pentan-2-ylaniline
CID 15724808
1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 115626076
N-(1-ethylsulfonylpropan-2-yl)-4-propoxyaniline
CID 115922546
methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate
CID 115918902
N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline
CID 115921635
N-(1-ethylsulfonylpropan-2-yl)-3-iodo-4-methylaniline
CID 115917176
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
4-ethylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630538
3-(4-fluoroanilino)-N,N-dimethylbutanamide
CID 115916764

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline (CID 115916758) is N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline is CCS(=O)(=O)CC(C)Nc1ccc(F)cc1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline?
The InChIKey is SMPWMHDRFQUMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-3-16(14,15)8-9(2)13-11-6-4-10(12)5-7-11/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline?
N-(1-ethylsulfonylpropan-2-yl)-4-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)-4-fluoroaniline is sourced from PubChem (CID 115916758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).