N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide

C13H20N2O4S — CID 108575021

IUPACN-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide
SMILESCCCCS(=O)(=O)NCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C13H20N2O4S/c1-2-3-9-20(18,19)15-8-7-14-13(17)11-5-4-6-12(16)10-11/h4-6,10,15-16H,2-3,7-9H2,1H3,(H,14,17)
InChIKeyIFQNBAJBMVHYGQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.84
Rot. Bonds8

About N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide

N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide (PubChem CID 108575021) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide
PubChem CID108575021
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide
SMILESCCCCS(=O)(=O)NCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C13H20N2O4S/c1-2-3-9-20(18,19)15-8-7-14-13(17)11-5-4-6-12(16)10-11/h4-6,10,15-16H,2-3,7-9H2,1H3,(H,14,17)
InChIKeyIFQNBAJBMVHYGQ-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

3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
CID 51104006
3-hydroxy-N-octylbenzamide
CID 115568584
2-[(3-hydroxybenzoyl)amino]ethanesulfonic acid
CID 155758744
3-methoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 18582832
N-ethyl-3-hydroxybenzamide
CID 13175248
N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108571762
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575028
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575024
N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683
N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
CID 108540575
[3-[2-(ethylsulfonylamino)ethylcarbamoyl]phenyl] acetate
CID 108570460

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide?
The IUPAC name of N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide (CID 108575021) is N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide?
The canonical SMILES for N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide is CCCCS(=O)(=O)NCCNC(=O)c1cccc(O)c1.
What is the InChIKey of N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide?
The InChIKey is IFQNBAJBMVHYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-2-3-9-20(18,19)15-8-7-14-13(17)11-5-4-6-12(16)10-11/h4-6,10,15-16H,2-3,7-9H2,1H3,(H,14,17).
What are the key properties of N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide?
N-[2-(butylsulfonylamino)ethyl]-3-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]-3-hydroxybenzamide is sourced from PubChem (CID 108575021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).