3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide

C12H19N3O3S — CID 76934654

IUPAC3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCc1ccc(S(=O)(=O)NC(C)CC(N)=NO)c(C)c1
InChIInChI=1S/C12H19N3O3S/c1-8-4-5-11(9(2)6-8)19(17,18)15-10(3)7-12(13)14-16/h4-6,10,15-16H,7H2,1-3H3,(H2,13,14)
InChIKeyANDVLJRGLPBPMO-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.11
Rot. Bonds5

About 3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide

3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide (PubChem CID 76934654) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
PubChem CID76934654
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCc1ccc(S(=O)(=O)NC(C)CC(N)=NO)c(C)c1
InChIInChI=1S/C12H19N3O3S/c1-8-4-5-11(9(2)6-8)19(17,18)15-10(3)7-12(13)14-16/h4-6,10,15-16H,7H2,1-3H3,(H2,13,14)
InChIKeyANDVLJRGLPBPMO-UHFFFAOYSA-N
XLogP1.11
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.11
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'}

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Related Compounds

N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide
CID 77077329
3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934796
N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65031366
3-[(2,4-dimethylphenyl)sulfonyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911591
3-[(4-fluoro-2-methylphenyl)sulfonylamino]butanethioamide
CID 62093527
N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide
CID 76934852
3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028768
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
N-(1-chloro-3-methylbutan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 79268006
N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119983252
3-[(2-chloro-4-methylphenyl)sulfonylamino]butanoic acid
CID 43242416
N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 55033286

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide (CID 76934654) is 3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide is Cc1ccc(S(=O)(=O)NC(C)CC(N)=NO)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The InChIKey is ANDVLJRGLPBPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-4-5-11(9(2)6-8)19(17,18)15-10(3)7-12(13)14-16/h4-6,10,15-16H,7H2,1-3H3,(H2,13,14).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide?
3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide has a molecular weight of 285.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76934654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).