4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide

C14H24N2O3S — CID 103910771

IUPAC4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide
SMILESCCCC(C)(O)CNC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-9-14(3,17)10-16-11(2)12-5-7-13(8-6-12)20(15,18)19/h5-8,11,16-17H,4,9-10H2,1-3H3,(H2,15,18,19)
InChIKeyARVDVZWGERVMOF-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.54
Rot. Bonds7

About 4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide

4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide (PubChem CID 103910771) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide
PubChem CID103910771
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide
SMILESCCCC(C)(O)CNC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-9-14(3,17)10-16-11(2)12-5-7-13(8-6-12)20(15,18)19/h5-8,11,16-17H,4,9-10H2,1-3H3,(H2,15,18,19)
InChIKeyARVDVZWGERVMOF-UHFFFAOYSA-N
XLogP1.54
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 113246998
4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide
CID 103911044
4-[1-[2-(tert-butylamino)ethylamino]ethyl]benzenesulfonamide
CID 107444925
N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115356169
1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103716987
3-amino-4-[(2-hydroxy-2-methylpentyl)amino]benzenesulfonamide
CID 106290169
N-propyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43226335
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 104930502

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide (CID 103910771) is 4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide is CCCC(C)(O)CNC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide?
The InChIKey is ARVDVZWGERVMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-9-14(3,17)10-16-11(2)12-5-7-13(8-6-12)20(15,18)19/h5-8,11,16-17H,4,9-10H2,1-3H3,(H2,15,18,19).
What are the key properties of 4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide?
4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 103910771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).