N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide

C15H25NO4S2 — CID 42955218

IUPACN-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H25NO4S2/c1-4-6-8-13(5-2)12-16-22(19,20)15-10-7-9-14(11-15)21(3,17)18/h7,9-11,13,16H,4-6,8,12H2,1-3H3
InChIKeyLXUZASVHZZDBMY-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.58
Rot. Bonds9

About N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide

N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide (PubChem CID 42955218) has the molecular formula C15H25NO4S2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
PubChem CID42955218
Molecular FormulaC15H25NO4S2
Molecular Weight347.50 g/mol
Exact Mass347.12
IUPAC NameN-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H25NO4S2/c1-4-6-8-13(5-2)12-16-22(19,20)15-10-7-9-14(11-15)21(3,17)18/h7,9-11,13,16H,4-6,8,12H2,1-3H3
InChIKeyLXUZASVHZZDBMY-UHFFFAOYSA-N
XLogP2.58
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107818703
N-(2-ethylhexyl)pyridine-3-sulfonamide
CID 60548932
N-(2-methylpropyl)-3-methylsulfonylbenzenesulfonamide
CID 47154529
N-[(2R)-2-ethylhexyl]-3-methylsulfonylbenzamide
CID 36616680
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide
CID 20769759
N-[(2S)-2-ethylhexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35396653
N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20858663
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 17226785

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide (CID 42955218) is N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide?
The InChIKey is LXUZASVHZZDBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S2/c1-4-6-8-13(5-2)12-16-22(19,20)15-10-7-9-14(11-15)21(3,17)18/h7,9-11,13,16H,4-6,8,12H2,1-3H3.
What are the key properties of N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide?
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide has a molecular weight of 347.50 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 42955218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).