2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide

C11H17N3O3S — CID 77038656

IUPAC2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(NS(=O)(=O)c1ccccc1)C(N)=NO
InChIInChI=1S/C11H17N3O3S/c1-8(2)10(11(12)13-15)14-18(16,17)9-6-4-3-5-7-9/h3-8,10,14-15H,1-2H3,(H2,12,13)
InChIKeyUBQPKDLLORKANY-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.74
Rot. Bonds5

About 2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide

2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide (PubChem CID 77038656) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide
PubChem CID77038656
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(NS(=O)(=O)c1ccccc1)C(N)=NO
InChIInChI=1S/C11H17N3O3S/c1-8(2)10(11(12)13-15)14-18(16,17)9-6-4-3-5-7-9/h3-8,10,14-15H,1-2H3,(H2,12,13)
InChIKeyUBQPKDLLORKANY-UHFFFAOYSA-N
XLogP0.74
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
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'}

Analyze 2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
CID 77038573
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
2-(benzenesulfonamido)-3-methyl-N'-(pyridin-2-ylmethyl)butanimidamide
CID 90831382
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide
CID 77038493
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
methyl 3-methyl-2-[(4-phenylphenyl)sulfonylamino]butanoate
CID 3854139
(2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride
CID 141092431
methyl (2S)-3,3-diamino-2-(benzenesulfonamido)propanoate
CID 70080026
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
CID 106346489
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide?
The IUPAC name of 2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide (CID 77038656) is 2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide?
The canonical SMILES for 2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide is CC(C)C(NS(=O)(=O)c1ccccc1)C(N)=NO.
What is the InChIKey of 2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide?
The InChIKey is UBQPKDLLORKANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8(2)10(11(12)13-15)14-18(16,17)9-6-4-3-5-7-9/h3-8,10,14-15H,1-2H3,(H2,12,13).
What are the key properties of 2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide?
2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide has a molecular weight of 271.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide is sourced from PubChem (CID 77038656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).