2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline

C11H16ClNO3S — CID 106721688

IUPAC2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline
SMILESCC(C)S(=O)(=O)CCOc1ccc(N)c(Cl)c1
InChIInChI=1S/C11H16ClNO3S/c1-8(2)17(14,15)6-5-16-9-3-4-11(13)10(12)7-9/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyYZDNYHCOBDBFDR-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.12
Rot. Bonds5

About 2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline

2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline (PubChem CID 106721688) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline.

Molecular Properties

Compound Name2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline
PubChem CID106721688
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline
SMILESCC(C)S(=O)(=O)CCOc1ccc(N)c(Cl)c1
InChIInChI=1S/C11H16ClNO3S/c1-8(2)17(14,15)6-5-16-9-3-4-11(13)10(12)7-9/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyYZDNYHCOBDBFDR-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

2-methyl-4-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721630
5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721632
2-methyl-4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
CID 106722837
4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
CID 98644091
2-chloro-4-(4-methoxybutoxy)aniline
CID 104646773
2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587870
4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline
CID 62112283
6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 106722241
2-chloro-4-propan-2-yloxyaniline
CID 62113434
N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106721971
4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene
CID 106732640
1-[4-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-one
CID 106725005

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline?
The IUPAC name of 2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline (CID 106721688) is 2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline.
What is the SMILES notation for 2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline?
The canonical SMILES for 2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline is CC(C)S(=O)(=O)CCOc1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline?
The InChIKey is YZDNYHCOBDBFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-8(2)17(14,15)6-5-16-9-3-4-11(13)10(12)7-9/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline?
2-chloro-4-(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 2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline is sourced from PubChem (CID 106721688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).