(4-cyclopentylphenyl) imidazole-1-sulfonate

C14H16N2O3S — CID 155926220

IUPAC(4-cyclopentylphenyl) imidazole-1-sulfonate
SMILESO=S(=O)(Oc1ccc(C2CCCC2)cc1)n1ccnc1
InChIInChI=1S/C14H16N2O3S/c17-20(18,16-10-9-15-11-16)19-14-7-5-13(6-8-14)12-3-1-2-4-12/h5-12H,1-4H2
InChIKeyBZMSNTCBHDFKHU-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.71
Rot. Bonds4

About (4-cyclopentylphenyl) imidazole-1-sulfonate

(4-cyclopentylphenyl) imidazole-1-sulfonate (PubChem CID 155926220) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is (4-cyclopentylphenyl) imidazole-1-sulfonate.

Molecular Properties

Compound Name(4-cyclopentylphenyl) imidazole-1-sulfonate
PubChem CID155926220
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name(4-cyclopentylphenyl) imidazole-1-sulfonate
SMILESO=S(=O)(Oc1ccc(C2CCCC2)cc1)n1ccnc1
InChIInChI=1S/C14H16N2O3S/c17-20(18,16-10-9-15-11-16)19-14-7-5-13(6-8-14)12-3-1-2-4-12/h5-12H,1-4H2
InChIKeyBZMSNTCBHDFKHU-UHFFFAOYSA-N
XLogP2.71
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Phenyl 1H-imidazole-1-sulfonate
CID 90409877
(4-Methylphenyl) imidazole-1-sulfonate
CID 102480913
[3-(Trifluoromethyl)phenyl] imidazole-1-sulfonate
CID 102480911
1-(3-Fluoro-4-propan-2-ylphenoxy)imidazole
CID 176770902
(3,5-Dimethylphenyl) imidazole-1-sulfonate
CID 102591651
Naphthalen-2-yl imidazole-1-sulfonate
CID 42604972
(4-Ethylphenyl) imidazole-1-sulfonate
CID 60203248
[2,6-Di(propan-2-yl)phenyl] imidazole-1-sulfonate
CID 135076279
(Imidazolyl)(methylphenoxy)phosphazene
CID 163184776
4-[(E)-2-(3-methylimidazol-3-ium-1-yl)ethenyl]phenol
CID 13948307
[4-(Trifluoromethyl)phenyl] imidazole-1-sulfonate
CID 56647462
[4-(Trifluoromethyl)phenyl] 2-methylimidazole-1-sulfonate
CID 66574205

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylphenyl) imidazole-1-sulfonate?
The IUPAC name of (4-cyclopentylphenyl) imidazole-1-sulfonate (CID 155926220) is (4-cyclopentylphenyl) imidazole-1-sulfonate.
What is the SMILES notation for (4-cyclopentylphenyl) imidazole-1-sulfonate?
The canonical SMILES for (4-cyclopentylphenyl) imidazole-1-sulfonate is O=S(=O)(Oc1ccc(C2CCCC2)cc1)n1ccnc1.
What is the InChIKey of (4-cyclopentylphenyl) imidazole-1-sulfonate?
The InChIKey is BZMSNTCBHDFKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-20(18,16-10-9-15-11-16)19-14-7-5-13(6-8-14)12-3-1-2-4-12/h5-12H,1-4H2.
What are the key properties of (4-cyclopentylphenyl) imidazole-1-sulfonate?
(4-cyclopentylphenyl) imidazole-1-sulfonate has a molecular weight of 292.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylphenyl) imidazole-1-sulfonate is sourced from PubChem (CID 155926220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).