3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide

C11H15FN2O5S2 — CID 103536755

IUPAC3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide
SMILESCOC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2F)C1
InChIInChI=1S/C11H15FN2O5S2/c1-19-8-4-5-14(7-8)21(17,18)11-3-2-9(6-10(11)12)20(13,15)16/h2-3,6,8H,4-5,7H2,1H3,(H2,13,15,16)
InChIKeyKUWCFBQHUSQYEL-UHFFFAOYSA-N
MW338.38 g/mol
LogP-0.12
Rot. Bonds4

About 3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide

3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 103536755) has the molecular formula C11H15FN2O5S2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide
PubChem CID103536755
Molecular FormulaC11H15FN2O5S2
Molecular Weight338.38 g/mol
Exact Mass338.04
IUPAC Name3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide
SMILESCOC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2F)C1
InChIInChI=1S/C11H15FN2O5S2/c1-19-8-4-5-14(7-8)21(17,18)11-3-2-9(6-10(11)12)20(13,15)16/h2-3,6,8H,4-5,7H2,1H3,(H2,13,15,16)
InChIKeyKUWCFBQHUSQYEL-UHFFFAOYSA-N
XLogP-0.12
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
CID 1168274
N-(2-Cyano-ethyl)-N-(3-ethoxy-propyl)-4-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 652961
N-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2439660
4-(4-Methoxypiperidine-1-sulfonyl)benzene-1-sulfonamide
CID 43216606
4-(4-Ethoxypiperidine-1-sulfonyl)benzene-1-sulfonamide
CID 71364075
4-(3-Methoxypiperidine-1-sulfonyl)benzene-1-sulfonamide
CID 71364076
4-N-ethyl-4-N-(3-methoxypropyl)benzene-1,4-disulfonamide
CID 85950246
Stk380091
CID 2885987
1-(2-Fluorophenyl)sulfonylpyrrolidin-3-ol
CID 6733533
3-fluoro-N-[rac-(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 122559732
N-[rac-(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-2-fluorobenzenesulfonamide
CID 122571621
4-(4-Fluorophenyl)sulfonyl-2,8-dimethyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 46846814

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of 3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide (CID 103536755) is 3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide is COC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2F)C1.
What is the InChIKey of 3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is KUWCFBQHUSQYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O5S2/c1-19-8-4-5-14(7-8)21(17,18)11-3-2-9(6-10(11)12)20(13,15)16/h2-3,6,8H,4-5,7H2,1H3,(H2,13,15,16).
What are the key properties of 3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide?
3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 338.38 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-methoxypyrrolidin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 103536755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).