N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide

C13H20N2O4S — CID 108571675

IUPACN-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide
SMILESCCCCS(=O)(=O)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C13H20N2O4S/c1-2-3-10-20(18,19)15-9-8-14-13(17)11-6-4-5-7-12(11)16/h4-7,15-16H,2-3,8-10H2,1H3,(H,14,17)
InChIKeyYFNQVOVJSKOGOC-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.84
Rot. Bonds8

About N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide

N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide (PubChem CID 108571675) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide
PubChem CID108571675
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide
SMILESCCCCS(=O)(=O)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C13H20N2O4S/c1-2-3-10-20(18,19)15-9-8-14-13(17)11-6-4-5-7-12(11)16/h4-7,15-16H,2-3,8-10H2,1H3,(H,14,17)
InChIKeyYFNQVOVJSKOGOC-UHFFFAOYSA-N
XLogP0.84
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide
CID 108575021
2-[2-(3-phenylpropylsulfonylamino)ethylcarbamoyl]benzoic acid
CID 113083432
N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide
CID 108573441
2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 119944537
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
CID 111150952
N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108573570
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
CID 111075603
N-(butylcarbamoyl)-2-hydroxybenzamide
CID 142955512
dodecyl-[3-[(2-hydroxybenzoyl)amino]propyl]-methylsulfanium bromide
CID 71441333
butyl 4-[(2-hydroxybenzoyl)amino]butanoate
CID 141205227
2-hydroxy-N-(4-sulfanylhexadecyl)benzamide
CID 88819148

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide (CID 108571675) is N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide is CCCCS(=O)(=O)NCCNC(=O)c1ccccc1O.
What is the InChIKey of N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide?
The InChIKey is YFNQVOVJSKOGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-2-3-10-20(18,19)15-9-8-14-13(17)11-6-4-5-7-12(11)16/h4-7,15-16H,2-3,8-10H2,1H3,(H,14,17).
What are the key properties of N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide?
N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide has a molecular weight of 300.38 g/mol, XLogP of 0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 108571675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).