(2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide

C16H18FN3O4S — CID 86277897

IUPAC(2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)NO)ccc1F
InChIInChI=1S/C16H18FN3O4S/c1-11-8-14(5-6-15(11)17)25(23,24)20(12(2)16(21)19-22)10-13-4-3-7-18-9-13/h3-9,12,22H,10H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyOFKSJKLKSOBXCJ-GFCCVEGCSA-N
MW367.40 g/mol
LogP1.61
Rot. Bonds6

About (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide

(2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide (PubChem CID 86277897) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide
PubChem CID86277897
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC Name(2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)NO)ccc1F
InChIInChI=1S/C16H18FN3O4S/c1-11-8-14(5-6-15(11)17)25(23,24)20(12(2)16(21)19-22)10-13-4-3-7-18-9-13/h3-9,12,22H,10H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyOFKSJKLKSOBXCJ-GFCCVEGCSA-N
XLogP1.61
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide?
The IUPAC name of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide (CID 86277897) is (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide is Cc1cc(S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)NO)ccc1F.
What is the InChIKey of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide?
The InChIKey is OFKSJKLKSOBXCJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c1-11-8-14(5-6-15(11)17)25(23,24)20(12(2)16(21)19-22)10-13-4-3-7-18-9-13/h3-9,12,22H,10H2,1-2H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide?
(2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide has a molecular weight of 367.40 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxypropanamide is sourced from PubChem (CID 86277897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).