(NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine

C10H13NO3S — CID 6346122

IUPAC(NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine
SMILESC/C(CCS(=O)(=O)c1ccccc1)=N/O
InChIInChI=1S/C10H13NO3S/c1-9(11-12)7-8-15(13,14)10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3/b11-9-
InChIKeyHCPYXACPFYDPJC-LUAWRHEFSA-N
MW227.29 g/mol
LogP1.70
Rot. Bonds4

About (NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine

(NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine (PubChem CID 6346122) has the molecular formula C10H13NO3S and a molecular weight of 227.29 g/mol. Its IUPAC name is (NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine
PubChem CID6346122
Molecular FormulaC10H13NO3S
Molecular Weight227.29 g/mol
Exact Mass227.06
IUPAC Name(NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine
SMILESC/C(CCS(=O)(=O)c1ccccc1)=N/O
InChIInChI=1S/C10H13NO3S/c1-9(11-12)7-8-15(13,14)10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3/b11-9-
InChIKeyHCPYXACPFYDPJC-LUAWRHEFSA-N
XLogP1.70
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine (CID 6346122) is (NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine is C/C(CCS(=O)(=O)c1ccccc1)=N/O.
What is the InChIKey of (NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine?
The InChIKey is HCPYXACPFYDPJC-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-9(11-12)7-8-15(13,14)10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3/b11-9-.
What are the key properties of (NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine?
(NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine has a molecular weight of 227.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 6346122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).