N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide

C11H15FN2O3S — CID 65422211

IUPACN-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide
SMILESCOc1cc(F)ccc1NS(=O)(=O)C1CCNC1
InChIInChI=1S/C11H15FN2O3S/c1-17-11-6-8(12)2-3-10(11)14-18(15,16)9-4-5-13-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3
InChIKeyZSBRDPNUQXFENM-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.94
Rot. Bonds4

About N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide

N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide (PubChem CID 65422211) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide
PubChem CID65422211
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC NameN-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide
SMILESCOc1cc(F)ccc1NS(=O)(=O)C1CCNC1
InChIInChI=1S/C11H15FN2O3S/c1-17-11-6-8(12)2-3-10(11)14-18(15,16)9-4-5-13-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3
InChIKeyZSBRDPNUQXFENM-UHFFFAOYSA-N
XLogP0.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide (CID 65422211) is N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide is COc1cc(F)ccc1NS(=O)(=O)C1CCNC1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide?
The InChIKey is ZSBRDPNUQXFENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-17-11-6-8(12)2-3-10(11)14-18(15,16)9-4-5-13-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3.
What are the key properties of N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide?
N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide has a molecular weight of 274.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65422211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).