N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide

C14H21NO3S — CID 107402685

IUPACN-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccccc1CO
InChIInChI=1S/C14H21NO3S/c1-2-15(10-12-6-5-7-12)19(17,18)14-9-4-3-8-13(14)11-16/h3-4,8-9,12,16H,2,5-7,10-11H2,1H3
InChIKeyONKVQYLCURGSJX-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.99
Rot. Bonds6

About N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide

N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide (PubChem CID 107402685) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide
PubChem CID107402685
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccccc1CO
InChIInChI=1S/C14H21NO3S/c1-2-15(10-12-6-5-7-12)19(17,18)14-9-4-3-8-13(14)11-16/h3-4,8-9,12,16H,2,5-7,10-11H2,1H3
InChIKeyONKVQYLCURGSJX-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63955952
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
3-[cyclobutylmethyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 107398793
(2-cyclobutylsulfonylphenyl)methanol
CID 84690547
N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 107402674
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79311862
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631091
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
CID 95974974
2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107402761
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
CID 107397041

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide (CID 107402685) is N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide is CCN(CC1CCC1)S(=O)(=O)c1ccccc1CO.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide?
The InChIKey is ONKVQYLCURGSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-15(10-12-6-5-7-12)19(17,18)14-9-4-3-8-13(14)11-16/h3-4,8-9,12,16H,2,5-7,10-11H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide?
N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 107402685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).