1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide

C12H19NO4S — CID 152748393

IUPAC1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide
SMILESCOC1=CCC(OC2CCCC2)(S(N)(=O)=O)C=C1
InChIInChI=1S/C12H19NO4S/c1-16-10-6-8-12(9-7-10,18(13,14)15)17-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,13,14,15)
InChIKeyVMWVRVIEKLFYEB-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.42
Rot. Bonds4

About 1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide

1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide (PubChem CID 152748393) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide
PubChem CID152748393
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide
SMILESCOC1=CCC(OC2CCCC2)(S(N)(=O)=O)C=C1
InChIInChI=1S/C12H19NO4S/c1-16-10-6-8-12(9-7-10,18(13,14)15)17-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,13,14,15)
InChIKeyVMWVRVIEKLFYEB-UHFFFAOYSA-N
XLogP1.42
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethoxy-1-methylcyclohexa-2,4-diene-1-sulfonamide
CID 90345167
1,4-Dimethoxycyclohexa-2,4-diene-1-sulfonamide
CID 139712463
1,4-Diethoxycyclohexa-2,4-diene-1-sulfonamide
CID 139712464
1-Cyclopentyloxycyclohexa-2,4-diene-1-sulfonamide
CID 152748392
1-Propan-2-yloxycyclohexa-2,4-diene-1-sulfonamide
CID 153673122
1-Cyclopentyloxy-4-(methoxymethoxy)cyclohexa-2,4-diene-1-sulfonamide
CID 153673131
1-Butan-2-yloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide
CID 153764911
4-Methoxy-1-(2-methylpropoxy)cyclohexa-2,4-diene-1-sulfonamide
CID 153764914

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide (CID 152748393) is 1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide is COC1=CCC(OC2CCCC2)(S(N)(=O)=O)C=C1.
What is the InChIKey of 1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is VMWVRVIEKLFYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-16-10-6-8-12(9-7-10,18(13,14)15)17-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide?
1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-4-methoxycyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 152748393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).