4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide

C9H10ClF3N4O3S — CID 114812357

IUPAC4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H10ClF3N4O3S/c10-5-1-2-6(8(14)16-18)7(3-5)17-21(19,20)15-4-9(11,12)13/h1-3,15,17-18H,4H2,(H2,14,16)
InChIKeyNJKHVEMVKGJYGV-UHFFFAOYSA-N
MW346.72 g/mol
LogP1.24
Rot. Bonds5

About 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide

4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide (PubChem CID 114812357) has the molecular formula C9H10ClF3N4O3S and a molecular weight of 346.72 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide
PubChem CID114812357
Molecular FormulaC9H10ClF3N4O3S
Molecular Weight346.72 g/mol
Exact Mass346.01
IUPAC Name4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H10ClF3N4O3S/c10-5-1-2-6(8(14)16-18)7(3-5)17-21(19,20)15-4-9(11,12)13/h1-3,15,17-18H,4H2,(H2,14,16)
InChIKeyNJKHVEMVKGJYGV-UHFFFAOYSA-N
XLogP1.24
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.72
LogP ≤ 51.24
H-Bond Donors ≤ 54
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'}

Analyze 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816595
4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide
CID 114959569
4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050392
4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114812354
4-chloro-2-(cyclopropylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050486
4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 105361632
4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 77050384
4-fluoro-2-(2,2,2-trifluoroethylsulfamoylamino)benzoic acid
CID 114805323
2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine
CID 114270033
ethyl N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]carbamate
CID 77050482
N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylsulfonylpropanamide
CID 104521819
N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-3-methylpentanamide
CID 114876308

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide (CID 114812357) is 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide is N/C(=N/O)c1ccc(Cl)cc1NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide?
The InChIKey is NJKHVEMVKGJYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N4O3S/c10-5-1-2-6(8(14)16-18)7(3-5)17-21(19,20)15-4-9(11,12)13/h1-3,15,17-18H,4H2,(H2,14,16).
What are the key properties of 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide?
4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide has a molecular weight of 346.72 g/mol, XLogP of 1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide is sourced from PubChem (CID 114812357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).