1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine

C11H14INO3S — CID 19132660

IUPAC1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine
SMILESCOc1cc(S(=O)(=O)N2CCCC2)ccc1I
InChIInChI=1S/C11H14INO3S/c1-16-11-8-9(4-5-10(11)12)17(14,15)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyGGOZINGRUGFUHW-UHFFFAOYSA-N
MW367.21 g/mol
LogP2.08
Rot. Bonds3

About 1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine

1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine (PubChem CID 19132660) has the molecular formula C11H14INO3S and a molecular weight of 367.21 g/mol. Its IUPAC name is 1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine
PubChem CID19132660
Molecular FormulaC11H14INO3S
Molecular Weight367.21 g/mol
Exact Mass366.97
IUPAC Name1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine
SMILESCOc1cc(S(=O)(=O)N2CCCC2)ccc1I
InChIInChI=1S/C11H14INO3S/c1-16-11-8-9(4-5-10(11)12)17(14,15)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyGGOZINGRUGFUHW-UHFFFAOYSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)sulfonylazepane
CID 8721927
1,4-bis[(4-fluoro-3-methoxyphenyl)sulfonyl]-1,4-diazepane
CID 22332516
1-(3-iodo-4-methoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 7366109
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 26544552
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 38020238
2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)propanamide
CID 763228
1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylazepane
CID 858983
1-(3-iodo-4-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 2979675

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine (CID 19132660) is 1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine is COc1cc(S(=O)(=O)N2CCCC2)ccc1I.
What is the InChIKey of 1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine?
The InChIKey is GGOZINGRUGFUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3S/c1-16-11-8-9(4-5-10(11)12)17(14,15)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine?
1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine has a molecular weight of 367.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 19132660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).