2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide

C11H17N3O3S — CID 76927437

IUPAC2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17N3O3S/c1-2-8-14(9-11(12)13-15)18(16,17)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3,(H2,12,13)
InChIKeyQZTWJMDGKAILIP-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.83
Rot. Bonds6

About 2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide

2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76927437) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
PubChem CID76927437
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17N3O3S/c1-2-8-14(9-11(12)13-15)18(16,17)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3,(H2,12,13)
InChIKeyQZTWJMDGKAILIP-UHFFFAOYSA-N
XLogP0.83
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927441
N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide
CID 76927443
2-[benzylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927546
N,N-dipropylbenzenesulfonamide
CID 4053954
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927493
2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927504
N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide
CID 59164206
2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 61008189
2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77045063
3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992999
4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]benzoic acid
CID 51087981

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide (CID 76927437) is 2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide is CCCN(CC(N)=NO)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is QZTWJMDGKAILIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-8-14(9-11(12)13-15)18(16,17)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3,(H2,12,13).
What are the key properties of 2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 271.34 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76927437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).