4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

C12H19N3O3S — CID 76979355

IUPAC4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCCCS(=O)(=O)N(C)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C12H19N3O3S/c1-3-4-9-19(17,18)15(2)11-7-5-10(6-8-11)12(13)14-16/h5-8,16H,3-4,9H2,1-2H3,(H2,13,14)
InChIKeyQXWFBJNSHBHTES-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.35
Rot. Bonds6

About 4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 76979355) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID76979355
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCCCS(=O)(=O)N(C)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C12H19N3O3S/c1-3-4-9-19(17,18)15(2)11-7-5-10(6-8-11)12(13)14-16/h5-8,16H,3-4,9H2,1-2H3,(H2,13,14)
InChIKeyQXWFBJNSHBHTES-UHFFFAOYSA-N
XLogP1.35
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.35
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

4-[butylsulfonyl(methyl)amino]benzoic acid
CID 104698261
4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide
CID 77047547
4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979353
N-(4-aminophenyl)-N-methylpropane-1-sulfonamide
CID 28894568
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
N'-hydroxy-4-(2-pentylsulfanylethylsulfonyl)benzenecarboximidamide
CID 107749850
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide
CID 76979395
N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide
CID 77014182
CID 71188100
CID 71188100
N'-hydroxy-4-[methyl-[(2-methyl-1H-imidazol-5-yl)sulfonyl]amino]benzenecarboximidamide
CID 77021181
N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide
CID 86816575

Frequently Asked Questions

What is the IUPAC name of 4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (CID 76979355) is 4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is CCCCS(=O)(=O)N(C)c1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is QXWFBJNSHBHTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-4-9-19(17,18)15(2)11-7-5-10(6-8-11)12(13)14-16/h5-8,16H,3-4,9H2,1-2H3,(H2,13,14).
What are the key properties of 4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 285.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76979355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).