3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide

C14H21ClN2O4S — CID 142683275

IUPAC3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
SMILESCCCCCN(CCC(=O)NO)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O4S/c1-2-3-4-10-17(11-9-14(18)16-19)22(20,21)13-7-5-12(15)6-8-13/h5-8,19H,2-4,9-11H2,1H3,(H,16,18)
InChIKeySZQJVPBWPPRCMX-UHFFFAOYSA-N
MW348.85 g/mol
LogP2.42
Rot. Bonds9

About 3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide

3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide (PubChem CID 142683275) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
PubChem CID142683275
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Name3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
SMILESCCCCCN(CCC(=O)NO)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O4S/c1-2-3-4-10-17(11-9-14(18)16-19)22(20,21)13-7-5-12(15)6-8-13/h5-8,19H,2-4,9-11H2,1H3,(H,16,18)
InChIKeySZQJVPBWPPRCMX-UHFFFAOYSA-N
XLogP2.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
CID 142683345
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 42700254
2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683333
2-[(4-acetamidophenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683353
2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3702192
2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
CID 141159834
3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide
CID 142683354
N-hydroxy-2-[pentyl-(4-phenyldiazenylphenyl)sulfonylamino]acetamide
CID 142683259
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 94830973
3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
CID 92695169

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide (CID 142683275) is 3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide is CCCCCN(CCC(=O)NO)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide?
The InChIKey is SZQJVPBWPPRCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-2-3-4-10-17(11-9-14(18)16-19)22(20,21)13-7-5-12(15)6-8-13/h5-8,19H,2-4,9-11H2,1H3,(H,16,18).
What are the key properties of 3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide?
3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide has a molecular weight of 348.85 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide is sourced from PubChem (CID 142683275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).