N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide

C19H21NO8S2 — CID 22707846

IUPACN-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCS(=O)(=O)CC3)cc2)cc1
InChIInChI=1S/C19H21NO8S2/c1-27-14-2-4-15(5-3-14)28-16-6-8-17(9-7-16)30(25,26)19(18(21)20-22)10-12-29(23,24)13-11-19/h2-9,22H,10-13H2,1H3,(H,20,21)
InChIKeyUZFRNPGCZDQEBS-UHFFFAOYSA-N
MW455.51 g/mol
LogP1.71
Rot. Bonds6

About N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide

N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide (PubChem CID 22707846) has the molecular formula C19H21NO8S2 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide
PubChem CID22707846
Molecular FormulaC19H21NO8S2
Molecular Weight455.51 g/mol
Exact Mass455.07
IUPAC NameN-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCS(=O)(=O)CC3)cc2)cc1
InChIInChI=1S/C19H21NO8S2/c1-27-14-2-4-15(5-3-14)28-16-6-8-17(9-7-16)30(25,26)19(18(21)20-22)10-12-29(23,24)13-11-19/h2-9,22H,10-13H2,1H3,(H,20,21)
InChIKeyUZFRNPGCZDQEBS-UHFFFAOYSA-N
XLogP1.71
TPSA136.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 11734162
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
CID 118179844
N-hydroxy-1-methyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 11589972
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-phenyl-8-azaspiro[4.5]decane-3-carboxamide
CID 72948809
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide
CID 160744990
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
N-hydroxy-4-[4-(4-propylphenoxy)phenyl]sulfonylthiane-4-carboxamide
CID 20735533
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 10938505
N-hydroxy-1-propan-2-yl-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 172866930
N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 22485386
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 118179843

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide (CID 22707846) is N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide is COc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCS(=O)(=O)CC3)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide?
The InChIKey is UZFRNPGCZDQEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO8S2/c1-27-14-2-4-15(5-3-14)28-16-6-8-17(9-7-16)30(25,26)19(18(21)20-22)10-12-29(23,24)13-11-19/h2-9,22H,10-13H2,1H3,(H,20,21).
What are the key properties of N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide?
N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide is sourced from PubChem (CID 22707846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).