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

C18H20ClN3O5S — CID 23645804

IUPAC2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C(C)C(=O)NO)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-12(18(24)21-25)22(11-14-5-3-4-6-17(14)19)28(26,27)16-9-7-15(8-10-16)20-13(2)23/h3-10,12,25H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNMKIMCOIZJIJSX-UHFFFAOYSA-N
MW425.89 g/mol
LogP2.38
Rot. Bonds7

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

2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide (PubChem CID 23645804) has the molecular formula C18H20ClN3O5S and a molecular weight of 425.89 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
PubChem CID23645804
Molecular FormulaC18H20ClN3O5S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C(C)C(=O)NO)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-12(18(24)21-25)22(11-14-5-3-4-6-17(14)19)28(26,27)16-9-7-15(8-10-16)20-13(2)23/h3-10,12,25H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNMKIMCOIZJIJSX-UHFFFAOYSA-N
XLogP2.38
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide (CID 23645804) is 2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide is CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C(C)C(=O)NO)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The InChIKey is NMKIMCOIZJIJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5S/c1-12(18(24)21-25)22(11-14-5-3-4-6-17(14)19)28(26,27)16-9-7-15(8-10-16)20-13(2)23/h3-10,12,25H,11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide has a molecular weight of 425.89 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).