N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide

C19H23NO5S — CID 10714610

IUPACN-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide
SMILESCOc1ccc(S(=O)(=O)C(CCCc2ccccc2)CC(=O)NO)cc1
InChIInChI=1S/C19H23NO5S/c1-25-16-10-12-17(13-11-16)26(23,24)18(14-19(21)20-22)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,18,22H,5,8-9,14H2,1H3,(H,20,21)
InChIKeyJXKHWYPWBNGVBP-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.76
Rot. Bonds9

About N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide

N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide (PubChem CID 10714610) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide
PubChem CID10714610
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC NameN-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide
SMILESCOc1ccc(S(=O)(=O)C(CCCc2ccccc2)CC(=O)NO)cc1
InChIInChI=1S/C19H23NO5S/c1-25-16-10-12-17(13-11-16)26(23,24)18(14-19(21)20-22)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,18,22H,5,8-9,14H2,1H3,(H,20,21)
InChIKeyJXKHWYPWBNGVBP-UHFFFAOYSA-N
XLogP2.76
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide?
The IUPAC name of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide (CID 10714610) is N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide.
What is the SMILES notation for N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide?
The canonical SMILES for N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide is COc1ccc(S(=O)(=O)C(CCCc2ccccc2)CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide?
The InChIKey is JXKHWYPWBNGVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-25-16-10-12-17(13-11-16)26(23,24)18(14-19(21)20-22)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,18,22H,5,8-9,14H2,1H3,(H,20,21).
What are the key properties of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide?
N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide has a molecular weight of 377.46 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-phenylhexanamide is sourced from PubChem (CID 10714610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).