N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide

C14H20INO2S — CID 163613729

IUPACN-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC[C@@H]1c1ccc(I)cc1
InChIInChI=1S/C14H20INO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14?/m1/s1
InChIKeyHIEFOCVVJHTIMX-KWCCSABGSA-N
MW393.29 g/mol
LogP3.26
Rot. Bonds4

About N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide

N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide (PubChem CID 163613729) has the molecular formula C14H20INO2S and a molecular weight of 393.29 g/mol. Its IUPAC name is N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide
PubChem CID163613729
Molecular FormulaC14H20INO2S
Molecular Weight393.29 g/mol
Exact Mass393.03
IUPAC NameN-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC[C@@H]1c1ccc(I)cc1
InChIInChI=1S/C14H20INO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14?/m1/s1
InChIKeyHIEFOCVVJHTIMX-KWCCSABGSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 53.26
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-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide
CID 59103244
1-[(1R,2R)-2-(dimethylsulfamoylamino)cyclopentyl]-4-iodobenzene
CID 142068467
N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide
CID 69112377
4-[4-[(2S)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzoic acid
CID 71082450
[4-[4-[(1S,2S)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]phenyl] hydrogen carbonate
CID 69112761
1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide
CID 69112646
N-[(1R,2R)-2-[4-[3-(methanesulfonamido)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide
CID 59103287
3,5-difluoro-N-[4-[(1S,2S)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 10159252
3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 59103276
N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide
CID 69112697
4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 69112222
4-isocyano-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 59103258

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide?
The IUPAC name of N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide (CID 163613729) is N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC[C@@H]1c1ccc(I)cc1.
What is the InChIKey of N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide?
The InChIKey is HIEFOCVVJHTIMX-KWCCSABGSA-N. The full InChI is InChI=1S/C14H20INO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14?/m1/s1.
What are the key properties of N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide?
N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide has a molecular weight of 393.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide is sourced from PubChem (CID 163613729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).