4-[(6-methyl-3-pyridinyl)sulfonyl]aniline

C12H12N2O2S — CID 90135081

IUPAC4-[(6-methyl-3-pyridinyl)sulfonyl]aniline
SMILESCc1ccc(S(=O)(=O)c2ccc(N)cc2)cn1
InChIInChI=1S/C12H12N2O2S/c1-9-2-5-12(8-14-9)17(15,16)11-6-3-10(13)4-7-11/h2-8H,13H2,1H3
InChIKeyFDWXWVIEGIOYCV-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.81
Rot. Bonds2

About 4-[(6-methyl-3-pyridinyl)sulfonyl]aniline

4-[(6-methyl-3-pyridinyl)sulfonyl]aniline (PubChem CID 90135081) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-[(6-methyl-3-pyridinyl)sulfonyl]aniline.

Molecular Properties

Compound Name4-[(6-methyl-3-pyridinyl)sulfonyl]aniline
PubChem CID90135081
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-[(6-methyl-3-pyridinyl)sulfonyl]aniline
SMILESCc1ccc(S(=O)(=O)c2ccc(N)cc2)cn1
InChIInChI=1S/C12H12N2O2S/c1-9-2-5-12(8-14-9)17(15,16)11-6-3-10(13)4-7-11/h2-8H,13H2,1H3
InChIKeyFDWXWVIEGIOYCV-UHFFFAOYSA-N
XLogP1.81
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(6-methyl-3-pyridinyl)sulfonyl]aniline?
The IUPAC name of 4-[(6-methyl-3-pyridinyl)sulfonyl]aniline (CID 90135081) is 4-[(6-methyl-3-pyridinyl)sulfonyl]aniline.
What is the SMILES notation for 4-[(6-methyl-3-pyridinyl)sulfonyl]aniline?
The canonical SMILES for 4-[(6-methyl-3-pyridinyl)sulfonyl]aniline is Cc1ccc(S(=O)(=O)c2ccc(N)cc2)cn1.
What is the InChIKey of 4-[(6-methyl-3-pyridinyl)sulfonyl]aniline?
The InChIKey is FDWXWVIEGIOYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9-2-5-12(8-14-9)17(15,16)11-6-3-10(13)4-7-11/h2-8H,13H2,1H3.
What are the key properties of 4-[(6-methyl-3-pyridinyl)sulfonyl]aniline?
4-[(6-methyl-3-pyridinyl)sulfonyl]aniline has a molecular weight of 248.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-3-pyridinyl)sulfonyl]aniline is sourced from PubChem (CID 90135081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).