2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide

C17H19ClN2O4S — CID 23645794

IUPAC2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O4S/c1-13(17(21)19-22)20(11-15-9-5-6-10-16(15)18)25(23,24)12-14-7-3-2-4-8-14/h2-10,13,22H,11-12H2,1H3,(H,19,21)
InChIKeyOKGQNAIMHBENPE-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.57
Rot. Bonds7

About 2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide

2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide (PubChem CID 23645794) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
PubChem CID23645794
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O4S/c1-13(17(21)19-22)20(11-15-9-5-6-10-16(15)18)25(23,24)12-14-7-3-2-4-8-14/h2-10,13,22H,11-12H2,1H3,(H,19,21)
InChIKeyOKGQNAIMHBENPE-UHFFFAOYSA-N
XLogP2.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The IUPAC name of 2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide (CID 23645794) is 2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The InChIKey is OKGQNAIMHBENPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-13(17(21)19-22)20(11-15-9-5-6-10-16(15)18)25(23,24)12-14-7-3-2-4-8-14/h2-10,13,22H,11-12H2,1H3,(H,19,21).
What are the key properties of 2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide has a molecular weight of 382.87 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzylsulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).