2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride

C10H14ClNO4S2 — CID 16776354

IUPAC2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride
SMILESCCc1cc(NS(=O)(=O)CC)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H14ClNO4S2/c1-3-8-7-9(12-17(13,14)4-2)5-6-10(8)18(11,15)16/h5-7,12H,3-4H2,1-2H3
InChIKeyLEVPSBDYMHKSNJ-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.94
Rot. Bonds5

About 2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride

2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride (PubChem CID 16776354) has the molecular formula C10H14ClNO4S2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride
PubChem CID16776354
Molecular FormulaC10H14ClNO4S2
Molecular Weight311.81 g/mol
Exact Mass311.01
IUPAC Name2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride
SMILESCCc1cc(NS(=O)(=O)CC)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H14ClNO4S2/c1-3-8-7-9(12-17(13,14)4-2)5-6-10(8)18(11,15)16/h5-7,12H,3-4H2,1-2H3
InChIKeyLEVPSBDYMHKSNJ-UHFFFAOYSA-N
XLogP1.94
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride?
The IUPAC name of 2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride (CID 16776354) is 2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride is CCc1cc(NS(=O)(=O)CC)ccc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride?
The InChIKey is LEVPSBDYMHKSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S2/c1-3-8-7-9(12-17(13,14)4-2)5-6-10(8)18(11,15)16/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride?
2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride has a molecular weight of 311.81 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 16776354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).