2-(oxan-4-ylsulfonyl)aniline

C11H15NO3S — CID 63936905

IUPAC2-(oxan-4-ylsulfonyl)aniline
SMILESNc1ccccc1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H15NO3S/c12-10-3-1-2-4-11(10)16(13,14)9-5-7-15-8-6-9/h1-4,9H,5-8,12H2
InChIKeyMPTOTHCANDMTSA-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.22
Rot. Bonds2

About 2-(oxan-4-ylsulfonyl)aniline

2-(oxan-4-ylsulfonyl)aniline (PubChem CID 63936905) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfonyl)aniline.

Molecular Properties

Compound Name2-(oxan-4-ylsulfonyl)aniline
PubChem CID63936905
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-(oxan-4-ylsulfonyl)aniline
SMILESNc1ccccc1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H15NO3S/c12-10-3-1-2-4-11(10)16(13,14)9-5-7-15-8-6-9/h1-4,9H,5-8,12H2
InChIKeyMPTOTHCANDMTSA-UHFFFAOYSA-N
XLogP1.22
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.22
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

4-chloro-2-(oxan-4-ylsulfonyl)aniline
CID 81180858
2-(3,5-dimethylcyclohexyl)sulfonylaniline
CID 64729332
2-(1,1-dioxothiolan-3-yl)sulfonylaniline
CID 61367424
3-cyclopentylsulfonyl-2-methylaniline
CID 81190403
6-amino-3-chloro-2-(oxan-4-ylsulfonyl)phenol
CID 123742707
N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide
CID 62996449
lithium 2-aminobenzenesulfonate
CID 59248314
2-cyclopropylsulfonylbenzaldehyde
CID 84677789
N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide
CID 114270035
2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfonyl)aniline
CID 81192550
N-[(3-amino-2-methylphenyl)methyl]oxane-4-sulfonamide
CID 103110626
4-methyl-2-(4-methylcyclohexyl)sulfonylaniline
CID 81183994

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfonyl)aniline?
The IUPAC name of 2-(oxan-4-ylsulfonyl)aniline (CID 63936905) is 2-(oxan-4-ylsulfonyl)aniline.
What is the SMILES notation for 2-(oxan-4-ylsulfonyl)aniline?
The canonical SMILES for 2-(oxan-4-ylsulfonyl)aniline is Nc1ccccc1S(=O)(=O)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylsulfonyl)aniline?
The InChIKey is MPTOTHCANDMTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c12-10-3-1-2-4-11(10)16(13,14)9-5-7-15-8-6-9/h1-4,9H,5-8,12H2.
What are the key properties of 2-(oxan-4-ylsulfonyl)aniline?
2-(oxan-4-ylsulfonyl)aniline has a molecular weight of 241.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfonyl)aniline is sourced from PubChem (CID 63936905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).