N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide

C19H23N3O5S — CID 18714975

IUPACN-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide
SMILESCC(C)(C)Oc1ccc(S(=O)(=O)N2c3ccccc3NCC2C(=O)NO)cc1
InChIInChI=1S/C19H23N3O5S/c1-19(2,3)27-13-8-10-14(11-9-13)28(25,26)22-16-7-5-4-6-15(16)20-12-17(22)18(23)21-24/h4-11,17,20,24H,12H2,1-3H3,(H,21,23)
InChIKeyZCRJZJDMPRGXAT-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.36
Rot. Bonds4

About N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide

N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide (PubChem CID 18714975) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide
PubChem CID18714975
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide
SMILESCC(C)(C)Oc1ccc(S(=O)(=O)N2c3ccccc3NCC2C(=O)NO)cc1
InChIInChI=1S/C19H23N3O5S/c1-19(2,3)27-13-8-10-14(11-9-13)28(25,26)22-16-7-5-4-6-15(16)20-12-17(22)18(23)21-24/h4-11,17,20,24H,12H2,1-3H3,(H,21,23)
InChIKeyZCRJZJDMPRGXAT-UHFFFAOYSA-N
XLogP2.36
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.36
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-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide?
The IUPAC name of N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide (CID 18714975) is N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide?
The canonical SMILES for N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide is CC(C)(C)Oc1ccc(S(=O)(=O)N2c3ccccc3NCC2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide?
The InChIKey is ZCRJZJDMPRGXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-19(2,3)27-13-8-10-14(11-9-13)28(25,26)22-16-7-5-4-6-15(16)20-12-17(22)18(23)21-24/h4-11,17,20,24H,12H2,1-3H3,(H,21,23).
What are the key properties of N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide?
N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 2.36, 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-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide is sourced from PubChem (CID 18714975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).