N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine

C18H16N2O6S2 — CID 45275969

IUPACN-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine
SMILESO=S(=O)(c1ccc(NO)cc1)c1ccc(S(=O)(=O)c2ccc(NO)cc2)cc1
InChIInChI=1S/C18H16N2O6S2/c21-19-13-1-5-15(6-2-13)27(23,24)17-9-11-18(12-10-17)28(25,26)16-7-3-14(20-22)4-8-16/h1-12,19-22H
InChIKeyNIAQRTRLHPLIBY-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.95
Rot. Bonds6

About N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine

N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine (PubChem CID 45275969) has the molecular formula C18H16N2O6S2 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine
PubChem CID45275969
Molecular FormulaC18H16N2O6S2
Molecular Weight420.47 g/mol
Exact Mass420.04
IUPAC NameN-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine
SMILESO=S(=O)(c1ccc(NO)cc1)c1ccc(S(=O)(=O)c2ccc(NO)cc2)cc1
InChIInChI=1S/C18H16N2O6S2/c21-19-13-1-5-15(6-2-13)27(23,24)17-9-11-18(12-10-17)28(25,26)16-7-3-14(20-22)4-8-16/h1-12,19-22H
InChIKeyNIAQRTRLHPLIBY-UHFFFAOYSA-N
XLogP2.95
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 70636806
CID 70636806
4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline
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4-[4-(methylamino)phenyl]sulfonylaniline
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N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
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[4-(3,4-difluorophenyl)sulfonylphenyl]hydrazine
CID 22179365
(Z)-4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]sulfonylanilino]-4-oxobut-2-enoic acid
CID 92856125

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine?
The IUPAC name of N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine (CID 45275969) is N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine.
What is the SMILES notation for N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine?
The canonical SMILES for N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine is O=S(=O)(c1ccc(NO)cc1)c1ccc(S(=O)(=O)c2ccc(NO)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine?
The InChIKey is NIAQRTRLHPLIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6S2/c21-19-13-1-5-15(6-2-13)27(23,24)17-9-11-18(12-10-17)28(25,26)16-7-3-14(20-22)4-8-16/h1-12,19-22H.
What are the key properties of N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine?
N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine has a molecular weight of 420.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine is sourced from PubChem (CID 45275969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).