2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide

C14H20ClNO2S — CID 114264441

IUPAC2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide
SMILESCCC1(CNS(=O)(=O)c2ccccc2CCl)CCC1
InChIInChI=1S/C14H20ClNO2S/c1-2-14(8-5-9-14)11-16-19(17,18)13-7-4-3-6-12(13)10-15/h3-4,6-7,16H,2,5,8-11H2,1H3
InChIKeyMRWLUUPWWMXLBI-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.28
Rot. Bonds6

About 2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide

2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide (PubChem CID 114264441) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide
PubChem CID114264441
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide
SMILESCCC1(CNS(=O)(=O)c2ccccc2CCl)CCC1
InChIInChI=1S/C14H20ClNO2S/c1-2-14(8-5-9-14)11-16-19(17,18)13-7-4-3-6-12(13)10-15/h3-4,6-7,16H,2,5,8-11H2,1H3
InChIKeyMRWLUUPWWMXLBI-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-N-[(1-ethylcyclopropyl)methyl]benzene-1,2-disulfonamide
CID 114101616
N-[(1-ethylcyclobutyl)methyl]-2-methylsulfonylaniline
CID 103741798
1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide
CID 103830233
N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide
CID 114109779
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394
2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide
CID 114264330
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide
CID 115271965
2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120895991
2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 114099734
2-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093329
2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 104859283
2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114264422

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide (CID 114264441) is 2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide is CCC1(CNS(=O)(=O)c2ccccc2CCl)CCC1.
What is the InChIKey of 2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide?
The InChIKey is MRWLUUPWWMXLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-2-14(8-5-9-14)11-16-19(17,18)13-7-4-3-6-12(13)10-15/h3-4,6-7,16H,2,5,8-11H2,1H3.
What are the key properties of 2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide?
2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide has a molecular weight of 301.84 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114264441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).