N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide

C14H21NO3S — CID 110642394

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1(CO)CCCC1
InChIInChI=1S/C14H21NO3S/c1-12-6-2-3-7-13(12)19(17,18)15-10-14(11-16)8-4-5-9-14/h2-3,6-7,15-16H,4-5,8-11H2,1H3
InChIKeyQLNBFEDZGHEFBL-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.83
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide (PubChem CID 110642394) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
PubChem CID110642394
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1(CO)CCCC1
InChIInChI=1S/C14H21NO3S/c1-12-6-2-3-7-13(12)19(17,18)15-10-14(11-16)8-4-5-9-14/h2-3,6-7,15-16H,4-5,8-11H2,1H3
InChIKeyQLNBFEDZGHEFBL-UHFFFAOYSA-N
XLogP1.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzenesulfonamide
CID 115755627
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110416813
2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723870
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
2-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methylbenzenesulfonamide
CID 115755603
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454078
5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115455427
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 75431366
5-amino-4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 114625986
2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide
CID 115755597
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]benzoate
CID 115455434

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide (CID 110642394) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCC1(CO)CCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide?
The InChIKey is QLNBFEDZGHEFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-12-6-2-3-7-13(12)19(17,18)15-10-14(11-16)8-4-5-9-14/h2-3,6-7,15-16H,4-5,8-11H2,1H3.
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110642394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).