2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide

C17H17ClFN3O5S — CID 23645830

IUPAC2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17ClFN3O5S/c1-11(16(23)20-25)22(10-12-4-2-3-5-15(12)18)17(24)21-28(26,27)14-8-6-13(19)7-9-14/h2-9,11,25H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyHJOPVZQTJLDXHZ-UHFFFAOYSA-N
MW429.86 g/mol
LogP2.27
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide (PubChem CID 23645830) has the molecular formula C17H17ClFN3O5S and a molecular weight of 429.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide
PubChem CID23645830
Molecular FormulaC17H17ClFN3O5S
Molecular Weight429.86 g/mol
Exact Mass429.06
IUPAC Name2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17ClFN3O5S/c1-11(16(23)20-25)22(10-12-4-2-3-5-15(12)18)17(24)21-28(26,27)14-8-6-13(19)7-9-14/h2-9,11,25H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyHJOPVZQTJLDXHZ-UHFFFAOYSA-N
XLogP2.27
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 52.27
H-Bond Donors ≤ 53
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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Related Compounds

Hydroxamate 43
CID 23645537
Hydroxamate 44
CID 10027203
hydroxamate deriv. B22
CID 10455715
hydroxamate deriv. B5
CID 23645791
hydroxamate deriv. B9
CID 23645795
hydroxamate deriv. B13
CID 23645799
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide
CID 71453379
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-4-methylpentanamide
CID 71455080
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,5-difluorophenyl)methyl]amino]-4-methylpentanamide
CID 71456884
Carboxylic acid deriv. C1
CID 23645817
N~2~-Benzyl-N~2~-[(4-Fluoro-3-Methylphenyl)sulfonyl]-N-Hydroxy-D-Alaninamide
CID 86277896
hydroxamate deriv. B7
CID 23645793

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide (CID 23645830) is 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide?
The InChIKey is HJOPVZQTJLDXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O5S/c1-11(16(23)20-25)22(10-12-4-2-3-5-15(12)18)17(24)21-28(26,27)14-8-6-13(19)7-9-14/h2-9,11,25H,10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide has a molecular weight of 429.86 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).