2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide

C13H22N2O3S — CID 54998715

IUPAC2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide
SMILESCCC(CC)N(CCO)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H22N2O3S/c1-3-11(4-2)15(9-10-16)12-7-5-6-8-13(12)19(14,17)18/h5-8,11,16H,3-4,9-10H2,1-2H3,(H2,14,17,18)
InChIKeyVLINZJMMQZEOSW-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.32
Rot. Bonds7

About 2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide

2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide (PubChem CID 54998715) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide
PubChem CID54998715
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide
SMILESCCC(CC)N(CCO)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H22N2O3S/c1-3-11(4-2)15(9-10-16)12-7-5-6-8-13(12)19(14,17)18/h5-8,11,16H,3-4,9-10H2,1-2H3,(H2,14,17,18)
InChIKeyVLINZJMMQZEOSW-UHFFFAOYSA-N
XLogP1.32
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl(pentan-3-yl)amino]benzaldehyde
CID 54994145
2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol
CID 63070901
ethyl 2-amino-3-[2-hydroxyethyl(pentan-3-yl)amino]benzoate
CID 115545495
2-chloro-6-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarbothioamide
CID 62497693
2-(2-methyl-3-nitro-N-pentan-3-ylanilino)ethanol
CID 63077643
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 79389604
2-[2-ethyl-N-(2-hydroxyethyl)anilino]ethanol
CID 21391330
2-chloro-N'-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 76944987
2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 81241920
2-amino-4-[2-hydroxyethyl(pentan-3-yl)amino]-N-methylbenzenesulfonamide
CID 80642720
ethyl 2-(N-propyl-2-sulfamoylanilino)acetate
CID 62007209
2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol
CID 62307448

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide?
The IUPAC name of 2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide (CID 54998715) is 2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide is CCC(CC)N(CCO)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide?
The InChIKey is VLINZJMMQZEOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-11(4-2)15(9-10-16)12-7-5-6-8-13(12)19(14,17)18/h5-8,11,16H,3-4,9-10H2,1-2H3,(H2,14,17,18).
What are the key properties of 2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide?
2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 54998715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).