3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride

C12H11ClN2O2S — CID 126544244

IUPAC3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride
SMILESCN(c1ccncc1)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H11ClN2O2S/c1-15(10-5-7-14-8-6-10)11-3-2-4-12(9-11)18(13,16)17/h2-9H,1H3
InChIKeyXSBQQPIDITWMRZ-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.78
Rot. Bonds3

About 3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride

3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride (PubChem CID 126544244) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride
PubChem CID126544244
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride
SMILESCN(c1ccncc1)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H11ClN2O2S/c1-15(10-5-7-14-8-6-10)11-3-2-4-12(9-11)18(13,16)17/h2-9H,1H3
InChIKeyXSBQQPIDITWMRZ-UHFFFAOYSA-N
XLogP2.78
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride?
The IUPAC name of 3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride (CID 126544244) is 3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride?
The canonical SMILES for 3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride is CN(c1ccncc1)c1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride?
The InChIKey is XSBQQPIDITWMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-15(10-5-7-14-8-6-10)11-3-2-4-12(9-11)18(13,16)17/h2-9H,1H3.
What are the key properties of 3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride?
3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride has a molecular weight of 282.75 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 126544244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).