3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide

C12H17NO3S — CID 113486170

IUPAC3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cccc(CO)c2)CCC1
InChIInChI=1S/C12H17NO3S/c1-12(6-3-7-12)13-17(15,16)11-5-2-4-10(8-11)9-14/h2,4-5,8,13-14H,3,6-7,9H2,1H3
InChIKeyMCDBQNBRQLNEGG-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.40
Rot. Bonds4

About 3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide

3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide (PubChem CID 113486170) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
PubChem CID113486170
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cccc(CO)c2)CCC1
InChIInChI=1S/C12H17NO3S/c1-12(6-3-7-12)13-17(15,16)11-5-2-4-10(8-11)9-14/h2,4-5,8,13-14H,3,6-7,9H2,1H3
InChIKeyMCDBQNBRQLNEGG-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 113482368
3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid
CID 113485339
3-[(1-methylcyclobutyl)sulfamoyl]benzenecarbothioamide
CID 113485525
3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958356
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide
CID 119981024
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
4-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687056
4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride
CID 113485497
N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
CID 107318048
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 107651998
3-bromo-5-(hydroxymethyl)-2-methyl-N-(1-methylcyclohexyl)benzenesulfonamide
CID 81480601

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide (CID 113486170) is 3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide is CC1(NS(=O)(=O)c2cccc(CO)c2)CCC1.
What is the InChIKey of 3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide?
The InChIKey is MCDBQNBRQLNEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-12(6-3-7-12)13-17(15,16)11-5-2-4-10(8-11)9-14/h2,4-5,8,13-14H,3,6-7,9H2,1H3.
What are the key properties of 3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide?
3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113486170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).