N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide

C18H32N2O5S — CID 54451158

IUPACN-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide
SMILESCCCCCCCCCN(CCONO)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H32N2O5S/c1-3-4-5-6-7-8-9-14-20(15-16-25-19-21)26(22,23)18-12-10-17(24-2)11-13-18/h10-13,19,21H,3-9,14-16H2,1-2H3
InChIKeyWVBGWFAYPAPKLJ-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.35
Rot. Bonds15

About N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide

N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide (PubChem CID 54451158) has the molecular formula C18H32N2O5S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide
PubChem CID54451158
Molecular FormulaC18H32N2O5S
Molecular Weight388.53 g/mol
Exact Mass388.20
IUPAC NameN-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide
SMILESCCCCCCCCCN(CCONO)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H32N2O5S/c1-3-4-5-6-7-8-9-14-20(15-16-25-19-21)26(22,23)18-12-10-17(24-2)11-13-18/h10-13,19,21H,3-9,14-16H2,1-2H3
InChIKeyWVBGWFAYPAPKLJ-UHFFFAOYSA-N
XLogP3.35
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 2187490
(E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6256436
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
N-dodecyl-N-[2-(hydroxyamino)oxyethyl]-1-phenylmethanesulfonamide
CID 54016004
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide
CID 171730221
N,N-bis[2-[bis[(4-methoxyphenyl)sulfonyl]amino]ethyl]-4-methoxybenzenesulfonamide
CID 101372665
N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 43136907
(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6259894
2-[2-(benzenesulfonyloxy)ethyl-(4-methoxyphenyl)sulfonylamino]ethyl benzenesulfonate
CID 89155428
4-dodecyl-N-[6-[(4-dodecylphenyl)sulfonyl-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]hexyl]-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
CID 122370740

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide?
The IUPAC name of N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide (CID 54451158) is N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide.
What is the SMILES notation for N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide?
The canonical SMILES for N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide is CCCCCCCCCN(CCONO)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide?
The InChIKey is WVBGWFAYPAPKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O5S/c1-3-4-5-6-7-8-9-14-20(15-16-25-19-21)26(22,23)18-12-10-17(24-2)11-13-18/h10-13,19,21H,3-9,14-16H2,1-2H3.
What are the key properties of N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide?
N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide has a molecular weight of 388.53 g/mol, XLogP of 3.35, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide is sourced from PubChem (CID 54451158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).