4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline

C15H18N2O3S — CID 102879919

IUPAC4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline
SMILESCCOc1ccc(N)c(S(=O)(=O)Cc2cncc(C)c2)c1
InChIInChI=1S/C15H18N2O3S/c1-3-20-13-4-5-14(16)15(7-13)21(18,19)10-12-6-11(2)8-17-9-12/h4-9H,3,10,16H2,1-2H3
InChIKeySBFUALHDTMXODA-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.34
Rot. Bonds5

About 4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline

4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline (PubChem CID 102879919) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline.

Molecular Properties

Compound Name4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline
PubChem CID102879919
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline
SMILESCCOc1ccc(N)c(S(=O)(=O)Cc2cncc(C)c2)c1
InChIInChI=1S/C15H18N2O3S/c1-3-20-13-4-5-14(16)15(7-13)21(18,19)10-12-6-11(2)8-17-9-12/h4-9H,3,10,16H2,1-2H3
InChIKeySBFUALHDTMXODA-UHFFFAOYSA-N
XLogP2.34
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline?
The IUPAC name of 4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline (CID 102879919) is 4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline.
What is the SMILES notation for 4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline?
The canonical SMILES for 4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline is CCOc1ccc(N)c(S(=O)(=O)Cc2cncc(C)c2)c1.
What is the InChIKey of 4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline?
The InChIKey is SBFUALHDTMXODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-20-13-4-5-14(16)15(7-13)21(18,19)10-12-6-11(2)8-17-9-12/h4-9H,3,10,16H2,1-2H3.
What are the key properties of 4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline?
4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline has a molecular weight of 306.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline is sourced from PubChem (CID 102879919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).