3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide

C17H18ClN3O4S — CID 18413944

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C17H18ClN3O4S/c18-14-4-6-15(7-5-14)20-8-10-21(11-9-20)26(24,25)16-3-1-2-13(12-16)17(22)19-23/h1-7,12,23H,8-11H2,(H,19,22)
InChIKeyXOQGWXCRMUJDTG-UHFFFAOYSA-N
MW395.87 g/mol
LogP1.97
Rot. Bonds4

About 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide

3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide (PubChem CID 18413944) has the molecular formula C17H18ClN3O4S and a molecular weight of 395.87 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide
PubChem CID18413944
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87 g/mol
Exact Mass395.07
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C17H18ClN3O4S/c18-14-4-6-15(7-5-14)20-8-10-21(11-9-20)26(24,25)16-3-1-2-13(12-16)17(22)19-23/h1-7,12,23H,8-11H2,(H,19,22)
InChIKeyXOQGWXCRMUJDTG-UHFFFAOYSA-N
XLogP1.97
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
methyl 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]benzoate
CID 113078610
N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 51156302
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
(E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
CID 10127077
N-(4-fluoro-2-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 26239928
3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylphenyl)benzamide
CID 42991837
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide (CID 18413944) is 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide is O=C(NO)c1cccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide?
The InChIKey is XOQGWXCRMUJDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4S/c18-14-4-6-15(7-5-14)20-8-10-21(11-9-20)26(24,25)16-3-1-2-13(12-16)17(22)19-23/h1-7,12,23H,8-11H2,(H,19,22).
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide?
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide has a molecular weight of 395.87 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide is sourced from PubChem (CID 18413944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).