N-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine

C20H33NO3S — CID 5122751

IUPACN-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine
SMILESCCCCCCCCCCCCC(C=NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H33NO3S/c1-2-3-4-5-6-7-8-9-10-12-17-20(18-21-22)25(23,24)19-15-13-11-14-16-19/h11,13-16,18,20,22H,2-10,12,17H2,1H3
InChIKeyLELAWXCGQNNCFB-UHFFFAOYSA-N
MW367.56 g/mol
LogP5.60
Rot. Bonds14

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

N-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine (PubChem CID 5122751) has the molecular formula C20H33NO3S and a molecular weight of 367.56 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine
PubChem CID5122751
Molecular FormulaC20H33NO3S
Molecular Weight367.56 g/mol
Exact Mass367.22
IUPAC NameN-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine
SMILESCCCCCCCCCCCCC(C=NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H33NO3S/c1-2-3-4-5-6-7-8-9-10-12-17-20(18-21-22)25(23,24)19-15-13-11-14-16-19/h11,13-16,18,20,22H,2-10,12,17H2,1H3
InChIKeyLELAWXCGQNNCFB-UHFFFAOYSA-N
XLogP5.60
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.56
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

(2E)-1-(Phenylsulfonyl)acetone oxime
CID 9615976
4-Phenyl-2-(phenylsulfonyl)-3-butenal oxime
CID 5904850
4-(Phenylsulfonyl)-2-butanone oxime
CID 6346122
Phenylsulfonylacetone oxime
CID 822349
N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine
CID 1471651
N-[(E)-2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine
CID 16195046
5-[1-(benzenesulfonyl)heptyl]-3,4-dihydro-2H-pyrrole
CID 10662539
4-(benzenesulfonyl)-N-[(4Z)-hepta-4,6-dienyl]butan-1-imine oxide
CID 177445708
N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine
CID 3480051
(NE)-N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine
CID 13603809
2-(Benzenesulfonyl)ethanimine
CID 54341548
[(E)-nonylideneamino] benzenesulfonate
CID 87079027

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine?
The IUPAC name of N-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine (CID 5122751) is N-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine.
What is the SMILES notation for N-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine?
The canonical SMILES for N-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine is CCCCCCCCCCCCC(C=NO)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine?
The InChIKey is LELAWXCGQNNCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3S/c1-2-3-4-5-6-7-8-9-10-12-17-20(18-21-22)25(23,24)19-15-13-11-14-16-19/h11,13-16,18,20,22H,2-10,12,17H2,1H3.
What are the key properties of N-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine?
N-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine has a molecular weight of 367.56 g/mol, XLogP of 5.60, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)tetradecylidene]hydroxylamine is sourced from PubChem (CID 5122751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).