N-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide

C21H27N3O5S — CID 58623223

IUPACN-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESCC(C)CCc1cnc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1
InChIInChI=1S/C21H27N3O5S/c1-15(2)3-6-17-13-23-19(14-22-17)16-4-7-18(8-5-16)30(27,28)21(20(25)24-26)9-11-29-12-10-21/h4-5,7-8,13-15,26H,3,6,9-12H2,1-2H3,(H,24,25)
InChIKeyZFMAVXXRHUFUMH-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.56
Rot. Bonds7

About N-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 58623223) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID58623223
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESCC(C)CCc1cnc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1
InChIInChI=1S/C21H27N3O5S/c1-15(2)3-6-17-13-23-19(14-22-17)16-4-7-18(8-5-16)30(27,28)21(20(25)24-26)9-11-29-12-10-21/h4-5,7-8,13-15,26H,3,6,9-12H2,1-2H3,(H,24,25)
InChIKeyZFMAVXXRHUFUMH-UHFFFAOYSA-N
XLogP2.56
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide (CID 58623223) is N-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide is CC(C)CCc1cnc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1.
What is the InChIKey of N-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is ZFMAVXXRHUFUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-15(2)3-6-17-13-23-19(14-22-17)16-4-7-18(8-5-16)30(27,28)21(20(25)24-26)9-11-29-12-10-21/h4-5,7-8,13-15,26H,3,6,9-12H2,1-2H3,(H,24,25).
What are the key properties of N-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-(3-methylbutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 58623223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).