1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide

C12H15BrClN3O3S — CID 77038531

IUPAC1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C12H15BrClN3O3S/c13-9-1-2-11(10(14)7-9)21(19,20)17-5-3-8(4-6-17)12(15)16-18/h1-2,7-8,18H,3-6H2,(H2,15,16)
InChIKeyQAKRFROKEGUOGZ-UHFFFAOYSA-N
MW396.69 g/mol
LogP2.25
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide

1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 77038531) has the molecular formula C12H15BrClN3O3S and a molecular weight of 396.69 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
PubChem CID77038531
Molecular FormulaC12H15BrClN3O3S
Molecular Weight396.69 g/mol
Exact Mass394.97
IUPAC Name1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C12H15BrClN3O3S/c13-9-1-2-11(10(14)7-9)21(19,20)17-5-3-8(4-6-17)12(15)16-18/h1-2,7-8,18H,3-6H2,(H2,15,16)
InChIKeyQAKRFROKEGUOGZ-UHFFFAOYSA-N
XLogP2.25
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.69
LogP ≤ 52.25
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'}

Analyze 1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide 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

[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971923
1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 62959424
1-(4-bromo-2-chlorophenyl)sulfonyl-4-methylazepane
CID 62044969
1-(4-bromo-2-chlorophenyl)sulfonyl-4-tert-butylpiperidine
CID 63420879
1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77038290
(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol
CID 107225177
1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine
CID 65244581
1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944015
ethyl 1-(4-bromo-2-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 42997517
1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77039217
1-(4-bromo-2-chlorophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816205
1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 119959333

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide (CID 77038531) is 1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide is NC(=NO)C1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is QAKRFROKEGUOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O3S/c13-9-1-2-11(10(14)7-9)21(19,20)17-5-3-8(4-6-17)12(15)16-18/h1-2,7-8,18H,3-6H2,(H2,15,16).
What are the key properties of 1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide?
1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide has a molecular weight of 396.69 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 77038531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).