[2-(benzenesulfonamido)cyclohexyl]-dimethylazanium

C14H23N2O2S+ — CID 4243978

IUPAC[2-(benzenesulfonamido)cyclohexyl]-dimethylazanium
SMILESC[NH+](C)C1CCCCC1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-16(2)14-11-7-6-10-13(14)15-19(17,18)12-8-4-3-5-9-12/h3-5,8-9,13-15H,6-7,10-11H2,1-2H3/p+1
InChIKeyVLEJSVXWQQVRQO-UHFFFAOYSA-O
MW283.42 g/mol
LogP0.42
Rot. Bonds4

About [2-(benzenesulfonamido)cyclohexyl]-dimethylazanium

[2-(benzenesulfonamido)cyclohexyl]-dimethylazanium (PubChem CID 4243978) has the molecular formula C14H23N2O2S+ and a molecular weight of 283.42 g/mol. Its IUPAC name is [2-(benzenesulfonamido)cyclohexyl]-dimethylazanium.

Molecular Properties

Compound Name[2-(benzenesulfonamido)cyclohexyl]-dimethylazanium
PubChem CID4243978
Molecular FormulaC14H23N2O2S+
Molecular Weight283.42 g/mol
Exact Mass283.15
IUPAC Name[2-(benzenesulfonamido)cyclohexyl]-dimethylazanium
SMILESC[NH+](C)C1CCCCC1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-16(2)14-11-7-6-10-13(14)15-19(17,18)12-8-4-3-5-9-12/h3-5,8-9,13-15H,6-7,10-11H2,1-2H3/p+1
InChIKeyVLEJSVXWQQVRQO-UHFFFAOYSA-O
XLogP0.42
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604938
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471
N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64923273
N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide
CID 23604948
N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide
CID 92701825
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonamido)cyclohexyl]-dimethylazanium?
The IUPAC name of [2-(benzenesulfonamido)cyclohexyl]-dimethylazanium (CID 4243978) is [2-(benzenesulfonamido)cyclohexyl]-dimethylazanium.
What is the SMILES notation for [2-(benzenesulfonamido)cyclohexyl]-dimethylazanium?
The canonical SMILES for [2-(benzenesulfonamido)cyclohexyl]-dimethylazanium is C[NH+](C)C1CCCCC1NS(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonamido)cyclohexyl]-dimethylazanium?
The InChIKey is VLEJSVXWQQVRQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N2O2S/c1-16(2)14-11-7-6-10-13(14)15-19(17,18)12-8-4-3-5-9-12/h3-5,8-9,13-15H,6-7,10-11H2,1-2H3/p+1.
What are the key properties of [2-(benzenesulfonamido)cyclohexyl]-dimethylazanium?
[2-(benzenesulfonamido)cyclohexyl]-dimethylazanium has a molecular weight of 283.42 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonamido)cyclohexyl]-dimethylazanium is sourced from PubChem (CID 4243978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).