[3-(diethylamino)phenyl]methanesulfonyl chloride

C11H16ClNO2S — CID 117409254

IUPAC[3-(diethylamino)phenyl]methanesulfonyl chloride
SMILESCCN(CC)c1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C11H16ClNO2S/c1-3-13(4-2)11-7-5-6-10(8-11)9-16(12,14)15/h5-8H,3-4,9H2,1-2H3
InChIKeyMXFZTWAPTBTMLM-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.60
Rot. Bonds5

About [3-(diethylamino)phenyl]methanesulfonyl chloride

[3-(diethylamino)phenyl]methanesulfonyl chloride (PubChem CID 117409254) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is [3-(diethylamino)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-(diethylamino)phenyl]methanesulfonyl chloride
PubChem CID117409254
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name[3-(diethylamino)phenyl]methanesulfonyl chloride
SMILESCCN(CC)c1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C11H16ClNO2S/c1-3-13(4-2)11-7-5-6-10(8-11)9-16(12,14)15/h5-8H,3-4,9H2,1-2H3
InChIKeyMXFZTWAPTBTMLM-UHFFFAOYSA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)phenyl]methanesulfonyl chloride?
The IUPAC name of [3-(diethylamino)phenyl]methanesulfonyl chloride (CID 117409254) is [3-(diethylamino)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [3-(diethylamino)phenyl]methanesulfonyl chloride?
The canonical SMILES for [3-(diethylamino)phenyl]methanesulfonyl chloride is CCN(CC)c1cccc(CS(=O)(=O)Cl)c1.
What is the InChIKey of [3-(diethylamino)phenyl]methanesulfonyl chloride?
The InChIKey is MXFZTWAPTBTMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-3-13(4-2)11-7-5-6-10(8-11)9-16(12,14)15/h5-8H,3-4,9H2,1-2H3.
What are the key properties of [3-(diethylamino)phenyl]methanesulfonyl chloride?
[3-(diethylamino)phenyl]methanesulfonyl chloride has a molecular weight of 261.77 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117409254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).