5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline

C11H16ClNO3S — CID 106721632

IUPAC5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline
SMILESCC(C)S(=O)(=O)CCOc1ccc(Cl)cc1N
InChIInChI=1S/C11H16ClNO3S/c1-8(2)17(14,15)6-5-16-11-4-3-9(12)7-10(11)13/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyDGOLDAXAAZKKJK-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.12
Rot. Bonds5

About 5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline

5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline (PubChem CID 106721632) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline.

Molecular Properties

Compound Name5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline
PubChem CID106721632
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline
SMILESCC(C)S(=O)(=O)CCOc1ccc(Cl)cc1N
InChIInChI=1S/C11H16ClNO3S/c1-8(2)17(14,15)6-5-16-11-4-3-9(12)7-10(11)13/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyDGOLDAXAAZKKJK-UHFFFAOYSA-N
XLogP2.12
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2-methylsulfonylethoxy)aniline
CID 56828923
4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene
CID 106732640
5-chloro-2-(2-propan-2-ylsulfonylethoxy)benzoic acid
CID 106721771
2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721688
1-[5-chloro-2-(2-methylsulfonylethoxy)phenyl]propan-2-amine
CID 54937433
5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline
CID 39438987
5-chloro-2-decoxyaniline
CID 55187694
1-[3-chloro-4-(2-propan-2-ylsulfonylethoxy)phenyl]butan-2-amine
CID 106728395
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
2-methyl-4-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721630
8-(2-amino-4-chlorophenoxy)-2-methyloctanoic acid;hydrochloride
CID 67314028
4-(bromomethyl)-2-fluoro-1-(2-propan-2-ylsulfonylethoxy)benzene
CID 107691560

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline?
The IUPAC name of 5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline (CID 106721632) is 5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline.
What is the SMILES notation for 5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline?
The canonical SMILES for 5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline is CC(C)S(=O)(=O)CCOc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline?
The InChIKey is DGOLDAXAAZKKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-8(2)17(14,15)6-5-16-11-4-3-9(12)7-10(11)13/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline?
5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline has a molecular weight of 277.77 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline is sourced from PubChem (CID 106721632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).