2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide

C14H12ClF9N2O4S — CID 23645537

IUPAC2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)
InChIKeyDUCBSHDQTBWWLC-UHFFFAOYSA-N
MW510.76 g/mol
LogP3.79
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide (PubChem CID 23645537) has the molecular formula C14H12ClF9N2O4S and a molecular weight of 510.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide
PubChem CID23645537
Molecular FormulaC14H12ClF9N2O4S
Molecular Weight510.76 g/mol
Exact Mass510.01
IUPAC Name2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)
InChIKeyDUCBSHDQTBWWLC-UHFFFAOYSA-N
XLogP3.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.76
LogP ≤ 53.79
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)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

Related Compounds

N-Hydroxy-2-[benzyl(nonafluorobutylsulfonyl)amino]-4-methylvaleramide
CID 10792025
N-Hydroxy-2-[benzyl(nonafluorobutylsulfonyl)amino]acetamide
CID 10837740
N-Hydroxy-2-[benzyl(nonafluorobutylsulfonyl)amino]propionamide
CID 23645528
N-Hydroxy-2-[benzyl(nonafluorobutylsulfonyl)amino]-3-methylbutyramide
CID 23645531
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
Carboxylic acid deriv. A4
CID 23645757

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide (CID 23645537) is 2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide?
The InChIKey is DUCBSHDQTBWWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27).
What are the key properties of 2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide has a molecular weight of 510.76 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).