N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide

C19H21NO7S — CID 91170376

IUPACN,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)C3CCOCC3C(=O)N(O)O)cc2)cc1
InChIInChI=1S/C19H21NO7S/c1-26-15-6-2-13(3-7-15)14-4-8-16(9-5-14)28(24,25)18-10-11-27-12-17(18)19(21)20(22)23/h2-9,17-18,22-23H,10-12H2,1H3
InChIKeyBNCZWLWHVIWCSS-UHFFFAOYSA-N
MW407.44 g/mol
LogP2.15
Rot. Bonds5

About N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide

N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide (PubChem CID 91170376) has the molecular formula C19H21NO7S and a molecular weight of 407.44 g/mol. Its IUPAC name is N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide.

Molecular Properties

Compound NameN,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide
PubChem CID91170376
Molecular FormulaC19H21NO7S
Molecular Weight407.44 g/mol
Exact Mass407.10
IUPAC NameN,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)C3CCOCC3C(=O)N(O)O)cc2)cc1
InChIInChI=1S/C19H21NO7S/c1-26-15-6-2-13(3-7-15)14-4-8-16(9-5-14)28(24,25)18-10-11-27-12-17(18)19(21)20(22)23/h2-9,17-18,22-23H,10-12H2,1H3
InChIKeyBNCZWLWHVIWCSS-UHFFFAOYSA-N
XLogP2.15
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 52.15
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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Related Compounds

4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
CID 91281007
2-(4-methoxyphenyl)sulfonylcyclohexane-1-carboxylic acid
CID 67614163
4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide
CID 90835457
N-amino-4-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N-hydroxyoxane-3-carboxamide
CID 91196880
4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 90801739
2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64647537
(3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168008
4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
CID 91003195
2-(4-methoxyphenyl)sulfonylcyclohexane-1-carbonitrile
CID 64691796
2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
CID 64644759
(3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide
CID 22888145
4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110752470

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide?
The IUPAC name of N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide (CID 91170376) is N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide.
What is the SMILES notation for N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide?
The canonical SMILES for N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide is COc1ccc(-c2ccc(S(=O)(=O)C3CCOCC3C(=O)N(O)O)cc2)cc1.
What is the InChIKey of N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide?
The InChIKey is BNCZWLWHVIWCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO7S/c1-26-15-6-2-13(3-7-15)14-4-8-16(9-5-14)28(24,25)18-10-11-27-12-17(18)19(21)20(22)23/h2-9,17-18,22-23H,10-12H2,1H3.
What are the key properties of N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide?
N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide is sourced from PubChem (CID 91170376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).