4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide

C8H8ClF2N3O3S — CID 77050392

IUPAC4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1NS(=O)(=O)C(F)F
InChIInChI=1S/C8H8ClF2N3O3S/c9-4-1-2-5(7(12)13-15)6(3-4)14-18(16,17)8(10)11/h1-3,8,14-15H,(H2,12,13)
InChIKeyXKZNYIIMIZPKRR-UHFFFAOYSA-N
MW299.69 g/mol
LogP1.40
Rot. Bonds4

About 4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide

4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide (PubChem CID 77050392) has the molecular formula C8H8ClF2N3O3S and a molecular weight of 299.69 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide
PubChem CID77050392
Molecular FormulaC8H8ClF2N3O3S
Molecular Weight299.69 g/mol
Exact Mass298.99
IUPAC Name4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1NS(=O)(=O)C(F)F
InChIInChI=1S/C8H8ClF2N3O3S/c9-4-1-2-5(7(12)13-15)6(3-4)14-18(16,17)8(10)11/h1-3,8,14-15H,(H2,12,13)
InChIKeyXKZNYIIMIZPKRR-UHFFFAOYSA-N
XLogP1.40
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.69
LogP ≤ 51.40
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

4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide
CID 114959569
4-chloro-2-(cyclopropylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050486
4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114812354
2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 82685246
4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 105361632
4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide
CID 114812357
4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 77050384
N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide
CID 28606569
N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylsulfonylpropanamide
CID 104521819
4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816595
5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
2-methylpropyl N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]carbamate
CID 77050359

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide (CID 77050392) is 4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(Cl)cc1NS(=O)(=O)C(F)F.
What is the InChIKey of 4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is XKZNYIIMIZPKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N3O3S/c9-4-1-2-5(7(12)13-15)6(3-4)14-18(16,17)8(10)11/h1-3,8,14-15H,(H2,12,13).
What are the key properties of 4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 299.69 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77050392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).