2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide

C16H16ClIN2O4S — CID 23645798

IUPAC2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C16H16ClIN2O4S/c1-11(16(21)19-22)20(10-12-4-2-3-5-15(12)17)25(23,24)14-8-6-13(18)7-9-14/h2-9,11,22H,10H2,1H3,(H,19,21)
InChIKeyCCNFBXPXSUFOQS-UHFFFAOYSA-N
MW494.74 g/mol
LogP3.03
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 23645798) has the molecular formula C16H16ClIN2O4S and a molecular weight of 494.74 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID23645798
Molecular FormulaC16H16ClIN2O4S
Molecular Weight494.74 g/mol
Exact Mass493.96
IUPAC Name2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C16H16ClIN2O4S/c1-11(16(21)19-22)20(10-12-4-2-3-5-15(12)17)25(23,24)14-8-6-13(18)7-9-14/h2-9,11,22H,10H2,1H3,(H,19,21)
InChIKeyCCNFBXPXSUFOQS-UHFFFAOYSA-N
XLogP3.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.74
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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. B2
CID 23645789
hydroxamate deriv. B5
CID 23645791
hydroxamate deriv. B9
CID 23645795
hydroxamate deriv. D1
CID 23645830
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-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide
CID 71456882
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,5-difluorophenyl)methyl]amino]-4-methylpentanamide
CID 71456884

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide (CID 23645798) is 2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is CCNFBXPXSUFOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClIN2O4S/c1-11(16(21)19-22)20(10-12-4-2-3-5-15(12)17)25(23,24)14-8-6-13(18)7-9-14/h2-9,11,22H,10H2,1H3,(H,19,21).
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 494.74 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(4-iodophenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 23645798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).