N-(4-propylsulfonylphenyl)hydroxylamine

C9H13NO3S — CID 130500550

IUPACN-(4-propylsulfonylphenyl)hydroxylamine
SMILESCCCS(=O)(=O)c1ccc(NO)cc1
InChIInChI=1S/C9H13NO3S/c1-2-7-14(12,13)9-5-3-8(10-11)4-6-9/h3-6,10-11H,2,7H2,1H3
InChIKeyLAKOTDNOUWMTPJ-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.67
Rot. Bonds4

About N-(4-propylsulfonylphenyl)hydroxylamine

N-(4-propylsulfonylphenyl)hydroxylamine (PubChem CID 130500550) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-(4-propylsulfonylphenyl)hydroxylamine.

Molecular Properties

Compound NameN-(4-propylsulfonylphenyl)hydroxylamine
PubChem CID130500550
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-(4-propylsulfonylphenyl)hydroxylamine
SMILESCCCS(=O)(=O)c1ccc(NO)cc1
InChIInChI=1S/C9H13NO3S/c1-2-7-14(12,13)9-5-3-8(10-11)4-6-9/h3-6,10-11H,2,7H2,1H3
InChIKeyLAKOTDNOUWMTPJ-UHFFFAOYSA-N
XLogP1.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-propylsulfonylbenzenesulfonic acid
CID 163962227
N-butyl-4-propylsulfonylaniline
CID 43453437
2-(4-propylsulfonylanilino)oxyacetic acid
CID 113498190
N-(2-chloroethyl)-4-propylsulfonylaniline
CID 65030404
4-(4-propylsulfonylanilino)butan-1-ol
CID 106842632
N-tert-butyl-2-(4-propylsulfonylanilino)acetamide
CID 115356865
N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine
CID 45275969
4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol
CID 107153331
N-[(4-methylphenyl)methyl]-4-propylsulfonylaniline
CID 43453453
N-[2-(2-methylprop-2-enoxy)ethyl]-4-propylsulfonylaniline
CID 114468837
[1-(4-propylsulfonylanilino)cyclohexyl]methanol
CID 62520983
N-(6-methylheptan-2-yl)-4-propylsulfonylaniline
CID 63540868

Frequently Asked Questions

What is the IUPAC name of N-(4-propylsulfonylphenyl)hydroxylamine?
The IUPAC name of N-(4-propylsulfonylphenyl)hydroxylamine (CID 130500550) is N-(4-propylsulfonylphenyl)hydroxylamine.
What is the SMILES notation for N-(4-propylsulfonylphenyl)hydroxylamine?
The canonical SMILES for N-(4-propylsulfonylphenyl)hydroxylamine is CCCS(=O)(=O)c1ccc(NO)cc1.
What is the InChIKey of N-(4-propylsulfonylphenyl)hydroxylamine?
The InChIKey is LAKOTDNOUWMTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-2-7-14(12,13)9-5-3-8(10-11)4-6-9/h3-6,10-11H,2,7H2,1H3.
What are the key properties of N-(4-propylsulfonylphenyl)hydroxylamine?
N-(4-propylsulfonylphenyl)hydroxylamine has a molecular weight of 215.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylsulfonylphenyl)hydroxylamine is sourced from PubChem (CID 130500550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).