3-(benzenesulfonyl)-N-cyclopentylpropanamide

C14H19NO3S — CID 6459253

IUPAC3-(benzenesulfonyl)-N-cyclopentylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC1CCCC1
InChIInChI=1S/C14H19NO3S/c16-14(15-12-6-4-5-7-12)10-11-19(17,18)13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2,(H,15,16)
InChIKeyLHKGVLANEIEUBB-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.91
Rot. Bonds5

About 3-(benzenesulfonyl)-N-cyclopentylpropanamide

3-(benzenesulfonyl)-N-cyclopentylpropanamide (PubChem CID 6459253) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-cyclopentylpropanamide
PubChem CID6459253
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name3-(benzenesulfonyl)-N-cyclopentylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC1CCCC1
InChIInChI=1S/C14H19NO3S/c16-14(15-12-6-4-5-7-12)10-11-19(17,18)13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2,(H,15,16)
InChIKeyLHKGVLANEIEUBB-UHFFFAOYSA-N
XLogP1.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-cyclopentylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-cyclopentylpropanamide (CID 6459253) is 3-(benzenesulfonyl)-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-cyclopentylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-cyclopentylpropanamide is O=C(CCS(=O)(=O)c1ccccc1)NC1CCCC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-cyclopentylpropanamide?
The InChIKey is LHKGVLANEIEUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-14(15-12-6-4-5-7-12)10-11-19(17,18)13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2,(H,15,16).
What are the key properties of 3-(benzenesulfonyl)-N-cyclopentylpropanamide?
3-(benzenesulfonyl)-N-cyclopentylpropanamide has a molecular weight of 281.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-cyclopentylpropanamide is sourced from PubChem (CID 6459253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).