(2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide

C17H20FN3O4S — CID 86277899

IUPAC(2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N(Cc2cccc(N)c2)[C@H](C)C(=O)NO)ccc1F
InChIInChI=1S/C17H20FN3O4S/c1-11-8-15(6-7-16(11)18)26(24,25)21(12(2)17(22)20-23)10-13-4-3-5-14(19)9-13/h3-9,12,23H,10,19H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyOULLBGRQWIKSBM-GFCCVEGCSA-N
MW381.43 g/mol
LogP1.80
Rot. Bonds6

About (2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide

(2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 86277899) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is (2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID86277899
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Name(2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N(Cc2cccc(N)c2)[C@H](C)C(=O)NO)ccc1F
InChIInChI=1S/C17H20FN3O4S/c1-11-8-15(6-7-16(11)18)26(24,25)21(12(2)17(22)20-23)10-13-4-3-5-14(19)9-13/h3-9,12,23H,10,19H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyOULLBGRQWIKSBM-GFCCVEGCSA-N
XLogP1.80
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of (2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide (CID 86277899) is (2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide is Cc1cc(S(=O)(=O)N(Cc2cccc(N)c2)[C@H](C)C(=O)NO)ccc1F.
What is the InChIKey of (2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is OULLBGRQWIKSBM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-11-8-15(6-7-16(11)18)26(24,25)21(12(2)17(22)20-23)10-13-4-3-5-14(19)9-13/h3-9,12,23H,10,19H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
(2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 381.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-aminophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 86277899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).