2-butan-2-ylsulfonyl-4-methoxyaniline

C11H17NO3S — CID 81207556

IUPAC2-butan-2-ylsulfonyl-4-methoxyaniline
SMILESCCC(C)S(=O)(=O)c1cc(OC)ccc1N
InChIInChI=1S/C11H17NO3S/c1-4-8(2)16(13,14)11-7-9(15-3)5-6-10(11)12/h5-8H,4,12H2,1-3H3
InChIKeyMLVUSECRICNLJL-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.85
Rot. Bonds4

About 2-butan-2-ylsulfonyl-4-methoxyaniline

2-butan-2-ylsulfonyl-4-methoxyaniline (PubChem CID 81207556) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-butan-2-ylsulfonyl-4-methoxyaniline.

Molecular Properties

Compound Name2-butan-2-ylsulfonyl-4-methoxyaniline
PubChem CID81207556
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-butan-2-ylsulfonyl-4-methoxyaniline
SMILESCCC(C)S(=O)(=O)c1cc(OC)ccc1N
InChIInChI=1S/C11H17NO3S/c1-4-8(2)16(13,14)11-7-9(15-3)5-6-10(11)12/h5-8H,4,12H2,1-3H3
InChIKeyMLVUSECRICNLJL-UHFFFAOYSA-N
XLogP1.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.85
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

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CID 101304006
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CID 81201309
4-methoxy-2-(methoxymethylsulfonyl)aniline
CID 81207309
2-(2-ethylsulfanylethylsulfonyl)-4-methoxyaniline
CID 113474819
2-(2-amino-5-methoxyphenyl)sulfonylacetamide
CID 81207136
4-methoxy-2-(3-methylsulfonylpropylsulfonyl)aniline
CID 81207138
5-bromo-2-butan-2-ylsulfonylaniline
CID 81185112
4-ethoxy-2-(1-phenylethylsulfonyl)aniline
CID 81175040
2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43265430
4-methoxy-2-(3,3,3-trifluoropropylsulfonyl)aniline
CID 81206904
2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29273537
3-butan-2-ylsulfonyl-4-methylaniline
CID 81191209

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfonyl-4-methoxyaniline?
The IUPAC name of 2-butan-2-ylsulfonyl-4-methoxyaniline (CID 81207556) is 2-butan-2-ylsulfonyl-4-methoxyaniline.
What is the SMILES notation for 2-butan-2-ylsulfonyl-4-methoxyaniline?
The canonical SMILES for 2-butan-2-ylsulfonyl-4-methoxyaniline is CCC(C)S(=O)(=O)c1cc(OC)ccc1N.
What is the InChIKey of 2-butan-2-ylsulfonyl-4-methoxyaniline?
The InChIKey is MLVUSECRICNLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-4-8(2)16(13,14)11-7-9(15-3)5-6-10(11)12/h5-8H,4,12H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfonyl-4-methoxyaniline?
2-butan-2-ylsulfonyl-4-methoxyaniline has a molecular weight of 243.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfonyl-4-methoxyaniline is sourced from PubChem (CID 81207556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).