2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline

C10H13ClFNO2S — CID 43807712

IUPAC2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline
SMILESCCS(=O)(=O)CCNc1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO2S/c1-2-16(14,15)6-5-13-10-4-3-8(12)7-9(10)11/h3-4,7,13H,2,5-6H2,1H3
InChIKeyNZHHNTUJMZMNCY-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.33
Rot. Bonds5

About 2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline

2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline (PubChem CID 43807712) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline
PubChem CID43807712
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC Name2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline
SMILESCCS(=O)(=O)CCNc1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO2S/c1-2-16(14,15)6-5-13-10-4-3-8(12)7-9(10)11/h3-4,7,13H,2,5-6H2,1H3
InChIKeyNZHHNTUJMZMNCY-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
2-chloro-N-(3,3-dimethylbutyl)-4-fluoroaniline
CID 63425145
2-chloro-N-(2-ethoxyethyl)-4-fluoroaniline
CID 43387861
2-chloro-4-fluoro-N-(2-propoxyethyl)aniline
CID 106451563
1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780933
2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline
CID 65175214
N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114138711
2-chloro-N-(3,3-diethoxypropyl)-4-fluoroaniline
CID 81094478
4-(2-chloro-4-fluoroanilino)butanoic acid
CID 18072403
methyl 4-(2-chloro-4-fluoroanilino)butanoate
CID 43377980
N-(2-chloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106029185
3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide
CID 62623790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline?
The IUPAC name of 2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline (CID 43807712) is 2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline.
What is the SMILES notation for 2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline?
The canonical SMILES for 2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline is CCS(=O)(=O)CCNc1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline?
The InChIKey is NZHHNTUJMZMNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-2-16(14,15)6-5-13-10-4-3-8(12)7-9(10)11/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline?
2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline has a molecular weight of 265.74 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline is sourced from PubChem (CID 43807712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).