2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide

C12H18ClN3O4S — CID 23645792

IUPAC2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)N(C)C
InChIInChI=1S/C12H18ClN3O4S/c1-9(12(17)14-18)16(21(19,20)15(2)3)8-10-6-4-5-7-11(10)13/h4-7,9,18H,8H2,1-3H3,(H,14,17)
InChIKeyXLMITWXMXKAXFY-UHFFFAOYSA-N
MW335.81 g/mol
LogP0.84
Rot. Bonds6

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

2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide (PubChem CID 23645792) has the molecular formula C12H18ClN3O4S and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide
PubChem CID23645792
Molecular FormulaC12H18ClN3O4S
Molecular Weight335.81 g/mol
Exact Mass335.07
IUPAC Name2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)N(C)C
InChIInChI=1S/C12H18ClN3O4S/c1-9(12(17)14-18)16(21(19,20)15(2)3)8-10-6-4-5-7-11(10)13/h4-7,9,18H,8H2,1-3H3,(H,14,17)
InChIKeyXLMITWXMXKAXFY-UHFFFAOYSA-N
XLogP0.84
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 50.84
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 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
(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 71584672
hydroxamate deriv. B13
CID 23645799
hydroxamate deriv. B1
CID 23645788
hydroxamate deriv. B3
CID 23645790
hydroxamate deriv. B7
CID 23645793
hydroxamate deriv. B8
CID 23645794

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide (CID 23645792) is 2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)N(C)C.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide?
The InChIKey is XLMITWXMXKAXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O4S/c1-9(12(17)14-18)16(21(19,20)15(2)3)8-10-6-4-5-7-11(10)13/h4-7,9,18H,8H2,1-3H3,(H,14,17).
What are the key properties of 2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]-N-hydroxypropanamide has a molecular weight of 335.81 g/mol, XLogP of 0.84, 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-(dimethylsulfamoyl)amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).