N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide

C10H15NO4S2 — CID 160796965

IUPACN-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO4S2/c1-3-11-17(14,15)10-6-4-9(5-7-10)8-16(2,12)13/h4-7,11H,3,8H2,1-2H3
InChIKeyFAYORVPAFJDNLM-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.53
Rot. Bonds5

About N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide

N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide (PubChem CID 160796965) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide
PubChem CID160796965
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC NameN-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO4S2/c1-3-11-17(14,15)10-6-4-9(5-7-10)8-16(2,12)13/h4-7,11H,3,8H2,1-2H3
InChIKeyFAYORVPAFJDNLM-UHFFFAOYSA-N
XLogP0.53
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide
CID 119990095
4-(methylsulfonylmethyl)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715832
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide
CID 112507244
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
N-ethyl-4-(methylideneamino)benzenesulfonamide
CID 163819248
N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide
CID 64629339
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]propanamide
CID 112507167
N-ethyl-2-[4-(ethylsulfamoyl)phenyl]-N-methylacetamide
CID 75522415

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide (CID 160796965) is N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide?
The InChIKey is FAYORVPAFJDNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-3-11-17(14,15)10-6-4-9(5-7-10)8-16(2,12)13/h4-7,11H,3,8H2,1-2H3.
What are the key properties of N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide?
N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide has a molecular weight of 277.37 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide is sourced from PubChem (CID 160796965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).