1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide

C11H17NO3S — CID 152748392

IUPAC1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1(OC2CCCC2)C=CC=CC1
InChIInChI=1S/C11H17NO3S/c12-16(13,14)11(8-4-1-5-9-11)15-10-6-2-3-7-10/h1,4-5,8,10H,2-3,6-7,9H2,(H2,12,13,14)
InChIKeyBDKSVPQDRMSNIM-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.45
Rot. Bonds3

About 1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide

1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide (PubChem CID 152748392) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide
PubChem CID152748392
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1(OC2CCCC2)C=CC=CC1
InChIInChI=1S/C11H17NO3S/c12-16(13,14)11(8-4-1-5-9-11)15-10-6-2-3-7-10/h1,4-5,8,10H,2-3,6-7,9H2,(H2,12,13,14)
InChIKeyBDKSVPQDRMSNIM-UHFFFAOYSA-N
XLogP1.45
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide (CID 152748392) is 1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide is NS(=O)(=O)C1(OC2CCCC2)C=CC=CC1.
What is the InChIKey of 1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is BDKSVPQDRMSNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c12-16(13,14)11(8-4-1-5-9-11)15-10-6-2-3-7-10/h1,4-5,8,10H,2-3,6-7,9H2,(H2,12,13,14).
What are the key properties of 1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide?
1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 152748392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).