1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene

C13H19IN2O2S — CID 142068467

IUPAC1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene
SMILESCN(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(I)cc1
InChIInChI=1S/C13H19IN2O2S/c1-16(2)19(17,18)15-13-5-3-4-12(13)10-6-8-11(14)9-7-10/h6-9,12-13,15H,3-5H2,1-2H3/t12-,13-/m1/s1
InChIKeyUQXSPDYPMVOKLY-CHWSQXEVSA-N
MW394.28 g/mol
LogP2.32
Rot. Bonds4

About 1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene

1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene (PubChem CID 142068467) has the molecular formula C13H19IN2O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene.

Molecular Properties

Compound Name1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene
PubChem CID142068467
Molecular FormulaC13H19IN2O2S
Molecular Weight394.28 g/mol
Exact Mass394.02
IUPAC Name1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene
SMILESCN(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(I)cc1
InChIInChI=1S/C13H19IN2O2S/c1-16(2)19(17,18)15-13-5-3-4-12(13)10-6-8-11(14)9-7-10/h6-9,12-13,15H,3-5H2,1-2H3/t12-,13-/m1/s1
InChIKeyUQXSPDYPMVOKLY-CHWSQXEVSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide
CID 163613729
N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide
CID 59103244
N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide
CID 69112377
4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene
CID 118607729
4-[4-[(2S)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzoic acid
CID 71082450
1-cyclohexyl-4-(dimethylsulfamoylamino)benzene
CID 110776745
cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 94869351
trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane
CID 94415076
[4-[4-[(1S,2S)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]phenyl] hydrogen carbonate
CID 69112761
4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride
CID 154500938
1-cyclobutyl-4-iodobenzene
CID 155973384
1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide
CID 69112646

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene?
The IUPAC name of 1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene (CID 142068467) is 1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene.
What is the SMILES notation for 1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene?
The canonical SMILES for 1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene is CN(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(I)cc1.
What is the InChIKey of 1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene?
The InChIKey is UQXSPDYPMVOKLY-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19IN2O2S/c1-16(2)19(17,18)15-13-5-3-4-12(13)10-6-8-11(14)9-7-10/h6-9,12-13,15H,3-5H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene?
1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene has a molecular weight of 394.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene is sourced from PubChem (CID 142068467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).