(2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide

C20H25ClN4O4S — CID 18727267

IUPAC(2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide
SMILESC[C@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN4O4S/c1-16(20(26)22-27)25(15-17-5-3-2-4-6-17)30(28,29)24-13-11-23(12-14-24)19-9-7-18(21)8-10-19/h2-10,16,27H,11-15H2,1H3,(H,22,26)/t16-/m1/s1
InChIKeyJUZWEVXSXSWGTG-MRXNPFEDSA-N
MW452.96 g/mol
LogP2.10
Rot. Bonds7

About (2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide

(2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide (PubChem CID 18727267) has the molecular formula C20H25ClN4O4S and a molecular weight of 452.96 g/mol. Its IUPAC name is (2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide
PubChem CID18727267
Molecular FormulaC20H25ClN4O4S
Molecular Weight452.96 g/mol
Exact Mass452.13
IUPAC Name(2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide
SMILESC[C@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN4O4S/c1-16(20(26)22-27)25(15-17-5-3-2-4-6-17)30(28,29)24-13-11-23(12-14-24)19-9-7-18(21)8-10-19/h2-10,16,27H,11-15H2,1H3,(H,22,26)/t16-/m1/s1
InChIKeyJUZWEVXSXSWGTG-MRXNPFEDSA-N
XLogP2.10
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 52.10
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-benzyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 110706002
(2R)-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypentanamide
CID 18727164
(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 40954300
(2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 10598780
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-hydroxypropanamide
CID 23645796
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
(2R)-6-amino-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxyhexanamide
CID 18727269
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide
CID 167938428
2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-methylamino]-2-hydroxyacetamide;2,2,2-trifluoroacetic acid
CID 70274159
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 108503569
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 3910541
2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide
CID 44961224

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of (2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide (CID 18727267) is (2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide is C[C@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide?
The InChIKey is JUZWEVXSXSWGTG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25ClN4O4S/c1-16(20(26)22-27)25(15-17-5-3-2-4-6-17)30(28,29)24-13-11-23(12-14-24)19-9-7-18(21)8-10-19/h2-10,16,27H,11-15H2,1H3,(H,22,26)/t16-/m1/s1.
What are the key properties of (2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide?
(2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide has a molecular weight of 452.96 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 18727267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).