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

C18H20ClN3O5S — CID 23645833

IUPAC2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)N(Cc1ccccc1Cl)C(C)C(=O)NO
InChIInChI=1S/C18H20ClN3O5S/c1-12-7-3-6-10-16(12)28(26,27)21-18(24)22(13(2)17(23)20-25)11-14-8-4-5-9-15(14)19/h3-10,13,25H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKYCXQKOKAUXESB-UHFFFAOYSA-N
MW425.89 g/mol
LogP2.44
Rot. Bonds6

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

2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide (PubChem CID 23645833) has the molecular formula C18H20ClN3O5S and a molecular weight of 425.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide
PubChem CID23645833
Molecular FormulaC18H20ClN3O5S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC Name2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)N(Cc1ccccc1Cl)C(C)C(=O)NO
InChIInChI=1S/C18H20ClN3O5S/c1-12-7-3-6-10-16(12)28(26,27)21-18(24)22(13(2)17(23)20-25)11-14-8-4-5-9-15(14)19/h3-10,13,25H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKYCXQKOKAUXESB-UHFFFAOYSA-N
XLogP2.44
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 52.44
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'}

Analyze 2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide (CID 23645833) is 2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide is Cc1ccccc1S(=O)(=O)NC(=O)N(Cc1ccccc1Cl)C(C)C(=O)NO.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide?
The InChIKey is KYCXQKOKAUXESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5S/c1-12-7-3-6-10-16(12)28(26,27)21-18(24)22(13(2)17(23)20-25)11-14-8-4-5-9-15(14)19/h3-10,13,25H,11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide has a molecular weight of 425.89 g/mol, XLogP of 2.44, 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-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).