4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide

C19H23N3O5S — CID 10525329

IUPAC4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2C(=O)NO)cc1
InChIInChI=1S/C19H23N3O5S/c1-27-16-7-9-17(10-8-16)28(25,26)22-12-11-21(14-18(22)19(23)20-24)13-15-5-3-2-4-6-15/h2-10,18,24H,11-14H2,1H3,(H,20,23)
InChIKeyGOLRDGXHDIYHCN-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.08
Rot. Bonds6

About 4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide

4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (PubChem CID 10525329) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
PubChem CID10525329
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2C(=O)NO)cc1
InChIInChI=1S/C19H23N3O5S/c1-27-16-7-9-17(10-8-16)28(25,26)22-12-11-21(14-18(22)19(23)20-24)13-15-5-3-2-4-6-15/h2-10,18,24H,11-14H2,1H3,(H,20,23)
InChIKeyGOLRDGXHDIYHCN-UHFFFAOYSA-N
XLogP1.08
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide
CID 445018
(3R)-N-hydroxy-2-{[4-(4-methoxyphenyl)phenyl]methyl}-1,1-dioxo-1$l^{6},2-thiazinane-3-carboxamide
CID 11429232
N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide
CID 5289389
(R)-2-(N-Benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-methylbutanamide
CID 9821883
2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide
CID 9843079
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-nitro-benzyl)-amino]-acetamide
CID 10500886
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-2-phenylacetamide
CID 10502537
MMP-3 Inhibitor VIII
CID 10549329
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(morpholin-4-yl)butanamide
CID 10552056
N-hydroxy-2-[(4-methoxybenzene)(2-phenylethyl)sulfonamido]acetamide
CID 10570770
N-hydroxy-2-[[4-methoxybenzenesulfonyl](benzyl)amino]acetamide
CID 10594000
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxypropanamide
CID 10594938

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The IUPAC name of 4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (CID 10525329) is 4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2C(=O)NO)cc1.
What is the InChIKey of 4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The InChIKey is GOLRDGXHDIYHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-27-16-7-9-17(10-8-16)28(25,26)22-12-11-21(14-18(22)19(23)20-24)13-15-5-3-2-4-6-15/h2-10,18,24H,11-14H2,1H3,(H,20,23).
What are the key properties of 4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 10525329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).