(2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide

C17H21FN4O4S — CID 10150704

IUPAC(2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide
SMILESNCCCC[C@@H](NS(=O)(=O)c1ccc(-c2cccc(F)c2)nc1)C(=O)NO
InChIInChI=1S/C17H21FN4O4S/c18-13-5-3-4-12(10-13)15-8-7-14(11-20-15)27(25,26)22-16(17(23)21-24)6-1-2-9-19/h3-5,7-8,10-11,16,22,24H,1-2,6,9,19H2,(H,21,23)/t16-/m1/s1
InChIKeyRLSOGWVXQFWJHU-MRXNPFEDSA-N
MW396.44 g/mol
LogP1.17
Rot. Bonds9

About (2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide

(2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide (PubChem CID 10150704) has the molecular formula C17H21FN4O4S and a molecular weight of 396.44 g/mol. Its IUPAC name is (2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide
PubChem CID10150704
Molecular FormulaC17H21FN4O4S
Molecular Weight396.44 g/mol
Exact Mass396.13
IUPAC Name(2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide
SMILESNCCCC[C@@H](NS(=O)(=O)c1ccc(-c2cccc(F)c2)nc1)C(=O)NO
InChIInChI=1S/C17H21FN4O4S/c18-13-5-3-4-12(10-13)15-8-7-14(11-20-15)27(25,26)22-16(17(23)21-24)6-1-2-9-19/h3-5,7-8,10-11,16,22,24H,1-2,6,9,19H2,(H,21,23)/t16-/m1/s1
InChIKeyRLSOGWVXQFWJHU-MRXNPFEDSA-N
XLogP1.17
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide?
The IUPAC name of (2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide (CID 10150704) is (2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide is NCCCC[C@@H](NS(=O)(=O)c1ccc(-c2cccc(F)c2)nc1)C(=O)NO.
What is the InChIKey of (2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide?
The InChIKey is RLSOGWVXQFWJHU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21FN4O4S/c18-13-5-3-4-12(10-13)15-8-7-14(11-20-15)27(25,26)22-16(17(23)21-24)6-1-2-9-19/h3-5,7-8,10-11,16,22,24H,1-2,6,9,19H2,(H,21,23)/t16-/m1/s1.
What are the key properties of (2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide?
(2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide has a molecular weight of 396.44 g/mol, XLogP of 1.17, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 10150704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).