N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine

C18H27NO3S — CID 3480051

IUPACN-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine
SMILESO=S(=O)(c1ccccc1)C1CCCCCCCCCCC1=NO
InChIInChI=1S/C18H27NO3S/c20-19-17-14-10-5-3-1-2-4-6-11-15-18(17)23(21,22)16-12-8-7-9-13-16/h7-9,12-13,18,20H,1-6,10-11,14-15H2
InChIKeyVUVNVXNGNZOYAH-UHFFFAOYSA-N
MW337.48 g/mol
LogP4.57
Rot. Bonds2

About N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine

N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine (PubChem CID 3480051) has the molecular formula C18H27NO3S and a molecular weight of 337.48 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine
PubChem CID3480051
Molecular FormulaC18H27NO3S
Molecular Weight337.48 g/mol
Exact Mass337.17
IUPAC NameN-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine
SMILESO=S(=O)(c1ccccc1)C1CCCCCCCCCCC1=NO
InChIInChI=1S/C18H27NO3S/c20-19-17-14-10-5-3-1-2-4-6-11-15-18(17)23(21,22)16-12-8-7-9-13-16/h7-9,12-13,18,20H,1-6,10-11,14-15H2
InChIKeyVUVNVXNGNZOYAH-UHFFFAOYSA-N
XLogP4.57
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 54.57
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 N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine?
The IUPAC name of N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine (CID 3480051) is N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine.
What is the SMILES notation for N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine?
The canonical SMILES for N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine is O=S(=O)(c1ccccc1)C1CCCCCCCCCCC1=NO.
What is the InChIKey of N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine?
The InChIKey is VUVNVXNGNZOYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c20-19-17-14-10-5-3-1-2-4-6-11-15-18(17)23(21,22)16-12-8-7-9-13-16/h7-9,12-13,18,20H,1-6,10-11,14-15H2.
What are the key properties of N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine?
N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine has a molecular weight of 337.48 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine is sourced from PubChem (CID 3480051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).