(2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride

C16H27ClFN3O4S — CID 122196492

IUPAC(2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(CCCCCCN)[C@H](C)C(=O)NO)ccc1F.Cl
InChIInChI=1S/C16H26FN3O4S.ClH/c1-12-11-14(7-8-15(12)17)25(23,24)20(13(2)16(21)19-22)10-6-4-3-5-9-18;/h7-8,11,13,22H,3-6,9-10,18H2,1-2H3,(H,19,21);1H/t13-;/m1./s1
InChIKeySXUMWYXTEPKUSO-BTQNPOSSSA-N
MW411.93 g/mol
LogP1.96
Rot. Bonds10

About (2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride

(2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride (PubChem CID 122196492) has the molecular formula C16H27ClFN3O4S and a molecular weight of 411.93 g/mol. Its IUPAC name is (2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride
PubChem CID122196492
Molecular FormulaC16H27ClFN3O4S
Molecular Weight411.93 g/mol
Exact Mass411.14
IUPAC Name(2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(CCCCCCN)[C@H](C)C(=O)NO)ccc1F.Cl
InChIInChI=1S/C16H26FN3O4S.ClH/c1-12-11-14(7-8-15(12)17)25(23,24)20(13(2)16(21)19-22)10-6-4-3-5-9-18;/h7-8,11,13,22H,3-6,9-10,18H2,1-2H3,(H,19,21);1H/t13-;/m1./s1
InChIKeySXUMWYXTEPKUSO-BTQNPOSSSA-N
XLogP1.96
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride?
The IUPAC name of (2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride (CID 122196492) is (2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride?
The canonical SMILES for (2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride is Cc1cc(S(=O)(=O)N(CCCCCCN)[C@H](C)C(=O)NO)ccc1F.Cl.
What is the InChIKey of (2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride?
The InChIKey is SXUMWYXTEPKUSO-BTQNPOSSSA-N. The full InChI is InChI=1S/C16H26FN3O4S.ClH/c1-12-11-14(7-8-15(12)17)25(23,24)20(13(2)16(21)19-22)10-6-4-3-5-9-18;/h7-8,11,13,22H,3-6,9-10,18H2,1-2H3,(H,19,21);1H/t13-;/m1./s1.
What are the key properties of (2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride?
(2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride has a molecular weight of 411.93 g/mol, XLogP of 1.96, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride is sourced from PubChem (CID 122196492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).