N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide

C11H17N3O3S — CID 77077329

IUPACN'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide
SMILESCc1ccccc1S(=O)(=O)NC(C)CC(N)=NO
InChIInChI=1S/C11H17N3O3S/c1-8-5-3-4-6-10(8)18(16,17)14-9(2)7-11(12)13-15/h3-6,9,14-15H,7H2,1-2H3,(H2,12,13)
InChIKeyNRBPXHQYOYOEOV-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.80
Rot. Bonds5

About N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide

N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide (PubChem CID 77077329) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide
PubChem CID77077329
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide
SMILESCc1ccccc1S(=O)(=O)NC(C)CC(N)=NO
InChIInChI=1S/C11H17N3O3S/c1-8-5-3-4-6-10(8)18(16,17)14-9(2)7-11(12)13-15/h3-6,9,14-15H,7H2,1-2H3,(H2,12,13)
InChIKeyNRBPXHQYOYOEOV-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
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

3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934654
3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934796
N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide
CID 76934852
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892
N'-hydroxy-3-[(2-methylphenyl)sulfonyl-propan-2-ylamino]propanimidamide
CID 77077386
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
2-ethyl-N'-hydroxy-2-[(2-methylphenyl)sulfonylamino]butanimidamide
CID 77077374
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934614
(2-methylphenyl)sulfonylurea
CID 20975378
2-methyl-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]benzenesulfonamide
CID 125486356
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 726567

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide (CID 77077329) is N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide is Cc1ccccc1S(=O)(=O)NC(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide?
The InChIKey is NRBPXHQYOYOEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-5-3-4-6-10(8)18(16,17)14-9(2)7-11(12)13-15/h3-6,9,14-15H,7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide?
N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide has a molecular weight of 271.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide is sourced from PubChem (CID 77077329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).