N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide

C13H19NO3S — CID 114548715

IUPACN-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccccc2O)C1
InChIInChI=1S/C13H19NO3S/c1-13(2)8-7-10(9-13)14-18(16,17)12-6-4-3-5-11(12)15/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyQZNBBPPWYFSOFK-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.25
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide

N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide (PubChem CID 114548715) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide
PubChem CID114548715
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccccc2O)C1
InChIInChI=1S/C13H19NO3S/c1-13(2)8-7-10(9-13)14-18(16,17)12-6-4-3-5-11(12)15/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyQZNBBPPWYFSOFK-UHFFFAOYSA-N
XLogP2.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylcyclopentyl)-2-(ethylamino)benzenesulfonamide
CID 114551008
2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 115881064
2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114264422
2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide
CID 80705108
4-[(3,3-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114543702
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187
2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
CID 102921092
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447
5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide
CID 114545529
5-chloro-N-(3,3-dimethylcyclopentyl)thiophene-2-sulfonamide
CID 115881167
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 102704778
N-(3,3-dimethylcyclopentyl)-2-(2-hydroxyphenyl)acetamide
CID 113345738

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide (CID 114548715) is N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide is CC1(C)CCC(NS(=O)(=O)c2ccccc2O)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide?
The InChIKey is QZNBBPPWYFSOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(2)8-7-10(9-13)14-18(16,17)12-6-4-3-5-11(12)15/h3-6,10,14-15H,7-9H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide?
N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 114548715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).