N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide

C15H23NO3S — CID 71691365

IUPACN-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide
SMILESCC(C)OCc1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C15H23NO3S/c1-12(2)19-11-13-6-5-9-15(10-13)20(17,18)16-14-7-3-4-8-14/h5-6,9-10,12,14,16H,3-4,7-8,11H2,1-2H3
InChIKeyAQOOZGXNARNMFG-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.83
Rot. Bonds6

About N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide

N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide (PubChem CID 71691365) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide
PubChem CID71691365
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide
SMILESCC(C)OCc1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C15H23NO3S/c1-12(2)19-11-13-6-5-9-15(10-13)20(17,18)16-14-7-3-4-8-14/h5-6,9-10,12,14,16H,3-4,7-8,11H2,1-2H3
InChIKeyAQOOZGXNARNMFG-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide
CID 158174529
3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide
CID 119964445
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 75537839
(2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 95756864
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide
CID 59280856
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 71691379
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
(3R,5R)-3,5-dimethyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 95756868

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide (CID 71691365) is N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide is CC(C)OCc1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide?
The InChIKey is AQOOZGXNARNMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12(2)19-11-13-6-5-9-15(10-13)20(17,18)16-14-7-3-4-8-14/h5-6,9-10,12,14,16H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide?
N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide is sourced from PubChem (CID 71691365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).