2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide

C16H16BrClN2O4S — CID 23645797

IUPAC2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClN2O4S/c1-11(16(21)19-22)20(10-12-4-2-3-5-15(12)18)25(23,24)14-8-6-13(17)7-9-14/h2-9,11,22H,10H2,1H3,(H,19,21)
InChIKeyABPMPYRJYAACHY-UHFFFAOYSA-N
MW447.74 g/mol
LogP3.19
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide

2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide (PubChem CID 23645797) has the molecular formula C16H16BrClN2O4S and a molecular weight of 447.74 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
PubChem CID23645797
Molecular FormulaC16H16BrClN2O4S
Molecular Weight447.74 g/mol
Exact Mass445.97
IUPAC Name2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClN2O4S/c1-11(16(21)19-22)20(10-12-4-2-3-5-15(12)18)25(23,24)14-8-6-13(17)7-9-14/h2-9,11,22H,10H2,1H3,(H,19,21)
InChIKeyABPMPYRJYAACHY-UHFFFAOYSA-N
XLogP3.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.74
LogP ≤ 53.19
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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Related Compounds

Hydroxamate 44
CID 10027203
hydroxamate deriv. B22
CID 10455715
hydroxamate deriv. B9
CID 23645795
hydroxamate deriv. D1
CID 23645830
hydroxamate deriv. B13
CID 23645799
2-(4-bromo-N-phenethylphenylsulfonamido)-N-(4-chlorobenzyl)acetamide
CID 1120653
hydroxamate deriv. B7
CID 23645793
hydroxamate deriv. B8
CID 23645794
hydroxamate deriv. B10
CID 23645796
hydroxamate deriv. B12
CID 23645798
hydroxamate deriv. B23
CID 23645807
hydroxamate deriv. B25
CID 23645808

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide (CID 23645797) is 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The InChIKey is ABPMPYRJYAACHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O4S/c1-11(16(21)19-22)20(10-12-4-2-3-5-15(12)18)25(23,24)14-8-6-13(17)7-9-14/h2-9,11,22H,10H2,1H3,(H,19,21).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide has a molecular weight of 447.74 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).