3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C12H14INO4S — CID 66030163

IUPAC3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)c2ccc(I)cc2)C1
InChIInChI=1S/C12H14INO4S/c13-9-2-5-11(6-3-9)19(17,18)14-10-4-1-8(7-10)12(15)16/h2-3,5-6,8,10,14H,1,4,7H2,(H,15,16)
InChIKeyJDRNCTASKAMZNL-UHFFFAOYSA-N
MW395.22 g/mol
LogP1.82
Rot. Bonds4

About 3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 66030163) has the molecular formula C12H14INO4S and a molecular weight of 395.22 g/mol. Its IUPAC name is 3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID66030163
Molecular FormulaC12H14INO4S
Molecular Weight395.22 g/mol
Exact Mass394.97
IUPAC Name3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)c2ccc(I)cc2)C1
InChIInChI=1S/C12H14INO4S/c13-9-2-5-11(6-3-9)19(17,18)14-10-4-1-8(7-10)12(15)16/h2-3,5-6,8,10,14H,1,4,7H2,(H,15,16)
InChIKeyJDRNCTASKAMZNL-UHFFFAOYSA-N
XLogP1.82
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66032166
3-(benzenesulfonamido)cyclohexane-1-carboxylic acid
CID 55145960
3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031557
4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79525486
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
cis-(1R,3S)-3-[(6-cyano-3-pyridinyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321509
3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030948
cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321626
cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321518
cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677340
3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031352
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 66030163) is 3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NS(=O)(=O)c2ccc(I)cc2)C1.
What is the InChIKey of 3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is JDRNCTASKAMZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO4S/c13-9-2-5-11(6-3-9)19(17,18)14-10-4-1-8(7-10)12(15)16/h2-3,5-6,8,10,14H,1,4,7H2,(H,15,16).
What are the key properties of 3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 395.22 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).