5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide

C18H21ClN2O4S — CID 11326952

IUPAC5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide
SMILESCC(CCC(=O)NO)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-13(2-11-18(22)20-23)12-14-3-7-16(8-4-14)21-26(24,25)17-9-5-15(19)6-10-17/h3-10,13,21,23H,2,11-12H2,1H3,(H,20,22)
InChIKeyBRQPIWNEGCCLGV-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.61
Rot. Bonds8

About 5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide

5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide (PubChem CID 11326952) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide
PubChem CID11326952
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide
SMILESCC(CCC(=O)NO)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-13(2-11-18(22)20-23)12-14-3-7-16(8-4-14)21-26(24,25)17-9-5-15(19)6-10-17/h3-10,13,21,23H,2,11-12H2,1H3,(H,20,22)
InChIKeyBRQPIWNEGCCLGV-UHFFFAOYSA-N
XLogP3.61
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.61
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide?
The IUPAC name of 5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide (CID 11326952) is 5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for 5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide is CC(CCC(=O)NO)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide?
The InChIKey is BRQPIWNEGCCLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13(2-11-18(22)20-23)12-14-3-7-16(8-4-14)21-26(24,25)17-9-5-15(19)6-10-17/h3-10,13,21,23H,2,11-12H2,1H3,(H,20,22).
What are the key properties of 5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide?
5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide has a molecular weight of 396.90 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 11326952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).