(2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide

C16H26ClN5O4S — CID 18727269

IUPAC(2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide
SMILESNCCCC[C@@H](NS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NO
InChIInChI=1S/C16H26ClN5O4S/c17-13-4-6-14(7-5-13)21-9-11-22(12-10-21)27(25,26)20-15(16(23)19-24)3-1-2-8-18/h4-7,15,20,24H,1-3,8-12,18H2,(H,19,23)/t15-/m1/s1
InChIKeyCJXAUAYBKVMVBE-OAHLLOKOSA-N
MW419.94 g/mol
LogP0.30
Rot. Bonds9

About (2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide

(2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide (PubChem CID 18727269) has the molecular formula C16H26ClN5O4S and a molecular weight of 419.94 g/mol. Its IUPAC name is (2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide
PubChem CID18727269
Molecular FormulaC16H26ClN5O4S
Molecular Weight419.94 g/mol
Exact Mass419.14
IUPAC Name(2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide
SMILESNCCCC[C@@H](NS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NO
InChIInChI=1S/C16H26ClN5O4S/c17-13-4-6-14(7-5-13)21-9-11-22(12-10-21)27(25,26)20-15(16(23)19-24)3-1-2-8-18/h4-7,15,20,24H,1-3,8-12,18H2,(H,19,23)/t15-/m1/s1
InChIKeyCJXAUAYBKVMVBE-OAHLLOKOSA-N
XLogP0.30
TPSA128.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.94
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypentanamide
CID 18727164
(2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide
CID 139983361
7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide
CID 119871471
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119871517
(2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide
CID 18727267
(2R)-5-(1,3-dioxoisoindol-2-yl)-N-hydroxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]pentanamide
CID 10229563
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide
CID 2096279
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 41349884
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide
CID 18413944
methyl (2R)-2-[[4-(4-iodophenyl)piperazin-1-yl]sulfonylamino]propanoate
CID 59286005
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide?
The IUPAC name of (2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide (CID 18727269) is (2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide is NCCCC[C@@H](NS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NO.
What is the InChIKey of (2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide?
The InChIKey is CJXAUAYBKVMVBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26ClN5O4S/c17-13-4-6-14(7-5-13)21-9-11-22(12-10-21)27(25,26)20-15(16(23)19-24)3-1-2-8-18/h4-7,15,20,24H,1-3,8-12,18H2,(H,19,23)/t15-/m1/s1.
What are the key properties of (2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide?
(2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide has a molecular weight of 419.94 g/mol, XLogP of 0.30, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 18727269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).