4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide

C10H14ClN3O3S — CID 76948260

IUPAC4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESNC(CCCNS(=O)(=O)c1ccccc1Cl)=NO
InChIInChI=1S/C10H14ClN3O3S/c11-8-4-1-2-5-9(8)18(16,17)13-7-3-6-10(12)14-15/h1-2,4-5,13,15H,3,6-7H2,(H2,12,14)
InChIKeyFTWHKBCEYWXLLY-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.14
Rot. Bonds6

About 4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide

4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide (PubChem CID 76948260) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
PubChem CID76948260
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESNC(CCCNS(=O)(=O)c1ccccc1Cl)=NO
InChIInChI=1S/C10H14ClN3O3S/c11-8-4-1-2-5-9(8)18(16,17)13-7-3-6-10(12)14-15/h1-2,4-5,13,15H,3,6-7H2,(H2,12,14)
InChIKeyFTWHKBCEYWXLLY-UHFFFAOYSA-N
XLogP1.14
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
CID 39364398
4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76953333
2-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 114008764
4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102556
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102606
2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154
N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide
CID 76952828
N'-hydroxy-4-[(3-methylphenyl)sulfonylamino]butanimidamide
CID 76952883
N-(4-amino-4-hydroxyiminobutyl)-2-(2-chlorophenyl)acetamide
CID 76953220
1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(2-chlorophenyl)urea
CID 55102310
2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 113066442

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide (CID 76948260) is 4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide is NC(CCCNS(=O)(=O)c1ccccc1Cl)=NO.
What is the InChIKey of 4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The InChIKey is FTWHKBCEYWXLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c11-8-4-1-2-5-9(8)18(16,17)13-7-3-6-10(12)14-15/h1-2,4-5,13,15H,3,6-7H2,(H2,12,14).
What are the key properties of 4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide?
4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide has a molecular weight of 291.76 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76948260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).