N-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide

C19H22N2O7S2 — CID 11620133

IUPACN-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N2O7S2/c1-29(24,25)21-13-11-19(12-14-21,18(22)20-23)30(26,27)17-9-7-16(8-10-17)28-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)
InChIKeyNWFAIXPOXVQZQD-UHFFFAOYSA-N
MW454.53 g/mol
LogP1.55
Rot. Bonds6

About N-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide

N-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 11620133) has the molecular formula C19H22N2O7S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID11620133
Molecular FormulaC19H22N2O7S2
Molecular Weight454.53 g/mol
Exact Mass454.09
IUPAC NameN-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N2O7S2/c1-29(24,25)21-13-11-19(12-14-21,18(22)20-23)30(26,27)17-9-7-16(8-10-17)28-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)
InChIKeyNWFAIXPOXVQZQD-UHFFFAOYSA-N
XLogP1.55
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 11620133) is N-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of N-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is NWFAIXPOXVQZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S2/c1-29(24,25)21-13-11-19(12-14-21,18(22)20-23)30(26,27)17-9-7-16(8-10-17)28-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22).
What are the key properties of N-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-methylsulfonyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 11620133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).