(2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide

C18H16BrN3O6S — CID 45378251

IUPAC(2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide
SMILESO=C(NO)[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrN3O6S/c19-11-5-7-12(8-6-11)29(27,28)21-15(16(23)20-26)9-10-22-17(24)13-3-1-2-4-14(13)18(22)25/h1-8,15,21,26H,9-10H2,(H,20,23)/t15-/m1/s1
InChIKeyMTDVSXPXWCWOED-OAHLLOKOSA-N
MW482.31 g/mol
LogP1.29
Rot. Bonds7

About (2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide

(2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide (PubChem CID 45378251) has the molecular formula C18H16BrN3O6S and a molecular weight of 482.31 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide
PubChem CID45378251
Molecular FormulaC18H16BrN3O6S
Molecular Weight482.31 g/mol
Exact Mass480.99
IUPAC Name(2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide
SMILESO=C(NO)[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrN3O6S/c19-11-5-7-12(8-6-11)29(27,28)21-15(16(23)20-26)9-10-22-17(24)13-3-1-2-4-14(13)18(22)25/h1-8,15,21,26H,9-10H2,(H,20,23)/t15-/m1/s1
InChIKeyMTDVSXPXWCWOED-OAHLLOKOSA-N
XLogP1.29
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.31
LogP ≤ 51.29
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide?
The IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide (CID 45378251) is (2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide?
The canonical SMILES for (2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide is O=C(NO)[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide?
The InChIKey is MTDVSXPXWCWOED-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16BrN3O6S/c19-11-5-7-12(8-6-11)29(27,28)21-15(16(23)20-26)9-10-22-17(24)13-3-1-2-4-14(13)18(22)25/h1-8,15,21,26H,9-10H2,(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide?
(2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide has a molecular weight of 482.31 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)sulfonylamino]-4-(1,3-dioxoisoindol-2-yl)-N-hydroxybutanamide is sourced from PubChem (CID 45378251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).