N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide

C15H26N2O4S2 — CID 20769759

IUPACN-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O4S2/c1-4-6-7-13(5-2)12-16-23(20,21)15-10-8-14(9-11-15)17-22(3,18)19/h8-11,13,16-17H,4-7,12H2,1-3H3
InChIKeyGEAYJSSRUPVTKO-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.55
Rot. Bonds10

About N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide

N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide (PubChem CID 20769759) has the molecular formula C15H26N2O4S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide
PubChem CID20769759
Molecular FormulaC15H26N2O4S2
Molecular Weight362.52 g/mol
Exact Mass362.13
IUPAC NameN-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O4S2/c1-4-6-7-13(5-2)12-16-23(20,21)15-10-8-14(9-11-15)17-22(3,18)19/h8-11,13,16-17H,4-7,12H2,1-3H3
InChIKeyGEAYJSSRUPVTKO-UHFFFAOYSA-N
XLogP2.55
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide
CID 133164771
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
N-(2-ethylhexyl)pyridine-3-sulfonamide
CID 60548932
N-[(2S)-2-ethylhexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35396653
N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen
CID 145277328
N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20858663
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107818703

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide?
The IUPAC name of N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide (CID 20769759) is N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide?
The canonical SMILES for N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide?
The InChIKey is GEAYJSSRUPVTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S2/c1-4-6-7-13(5-2)12-16-23(20,21)15-10-8-14(9-11-15)17-22(3,18)19/h8-11,13,16-17H,4-7,12H2,1-3H3.
What are the key properties of N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide?
N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide has a molecular weight of 362.52 g/mol, XLogP of 2.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide is sourced from PubChem (CID 20769759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).