(2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide

C12H13N3O5S — CID 90948921

IUPAC(2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide
SMILESO=C(NO)[C@H](CO)NS(=O)(=O)c1ccc2cccnc2c1
InChIInChI=1S/C12H13N3O5S/c16-7-11(12(17)14-18)15-21(19,20)9-4-3-8-2-1-5-13-10(8)6-9/h1-6,11,15-16,18H,7H2,(H,14,17)/t11-/m0/s1
InChIKeyNUAIYBYEOQLPOB-NSHDSACASA-N
MW311.32 g/mol
LogP-0.62
Rot. Bonds5

About (2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide

(2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide (PubChem CID 90948921) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is (2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide.

Molecular Properties

Compound Name(2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide
PubChem CID90948921
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name(2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide
SMILESO=C(NO)[C@H](CO)NS(=O)(=O)c1ccc2cccnc2c1
InChIInChI=1S/C12H13N3O5S/c16-7-11(12(17)14-18)15-21(19,20)9-4-3-8-2-1-5-13-10(8)6-9/h1-6,11,15-16,18H,7H2,(H,14,17)/t11-/m0/s1
InChIKeyNUAIYBYEOQLPOB-NSHDSACASA-N
XLogP-0.62
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
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 (2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide?
The IUPAC name of (2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide (CID 90948921) is (2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide.
What is the SMILES notation for (2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide?
The canonical SMILES for (2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide is O=C(NO)[C@H](CO)NS(=O)(=O)c1ccc2cccnc2c1.
What is the InChIKey of (2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide?
The InChIKey is NUAIYBYEOQLPOB-NSHDSACASA-N. The full InChI is InChI=1S/C12H13N3O5S/c16-7-11(12(17)14-18)15-21(19,20)9-4-3-8-2-1-5-13-10(8)6-9/h1-6,11,15-16,18H,7H2,(H,14,17)/t11-/m0/s1.
What are the key properties of (2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide?
(2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide has a molecular weight of 311.32 g/mol, XLogP of -0.62, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide is sourced from PubChem (CID 90948921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).