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

C12H17N3O5S — CID 10663143

IUPACN-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2C(=O)NO)cc1
InChIInChI=1S/C12H17N3O5S/c1-20-9-2-4-10(5-3-9)21(18,19)15-7-6-13-8-11(15)12(16)14-17/h2-5,11,13,17H,6-8H2,1H3,(H,14,16)
InChIKeyNDGWYSJFTMSGNY-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.84
Rot. Bonds4

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

N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (PubChem CID 10663143) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
PubChem CID10663143
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC NameN-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2C(=O)NO)cc1
InChIInChI=1S/C12H17N3O5S/c1-20-9-2-4-10(5-3-9)21(18,19)15-7-6-13-8-11(15)12(16)14-17/h2-5,11,13,17H,6-8H2,1H3,(H,14,16)
InChIKeyNDGWYSJFTMSGNY-UHFFFAOYSA-N
XLogP-0.84
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (CID 10663143) is N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The canonical SMILES for N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCNCC2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The InChIKey is NDGWYSJFTMSGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-20-9-2-4-10(5-3-9)21(18,19)15-7-6-13-8-11(15)12(16)14-17/h2-5,11,13,17H,6-8H2,1H3,(H,14,16).
What are the key properties of N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 10663143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).