2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline

C11H15ClFNO2S — CID 106724550

IUPAC2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline
SMILESCC(C)S(=O)(=O)CCNc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO2S/c1-8(2)17(15,16)7-6-14-11-9(12)4-3-5-10(11)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyDSSQWQPZIUOKRB-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.71
Rot. Bonds5

About 2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline

2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline (PubChem CID 106724550) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline
PubChem CID106724550
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC Name2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline
SMILESCC(C)S(=O)(=O)CCNc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO2S/c1-8(2)17(15,16)7-6-14-11-9(12)4-3-5-10(11)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyDSSQWQPZIUOKRB-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline 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

4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline
CID 107619790
4-fluoro-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723660
N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114142281
3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 114175610
3-(2-propan-2-ylsulfonylethylamino)benzamide
CID 114003703
2-(chloromethyl)-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106730988
3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042717
3-ethoxy-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723469
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
3-chloro-2-(3-methylbutylamino)benzoic acid
CID 18803655
1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103864785
(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
CID 104877858

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline?
The IUPAC name of 2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline (CID 106724550) is 2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline.
What is the SMILES notation for 2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline?
The canonical SMILES for 2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline is CC(C)S(=O)(=O)CCNc1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline?
The InChIKey is DSSQWQPZIUOKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2S/c1-8(2)17(15,16)7-6-14-11-9(12)4-3-5-10(11)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline?
2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline has a molecular weight of 279.76 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline is sourced from PubChem (CID 106724550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).