4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide

C19H24N2O2S — CID 24886366

IUPAC4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15-3-2-13-21(15)14-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)24(20,22)23/h4-11,15H,2-3,12-14H2,1H3,(H2,20,22,23)/t15-/m1/s1
InChIKeyZIIXOXVBEACGII-OAHLLOKOSA-N
MW344.48 g/mol
LogP3.03
Rot. Bonds5

About 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide

4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide (PubChem CID 24886366) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
PubChem CID24886366
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15-3-2-13-21(15)14-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)24(20,22)23/h4-11,15H,2-3,12-14H2,1H3,(H2,20,22,23)/t15-/m1/s1
InChIKeyZIIXOXVBEACGII-OAHLLOKOSA-N
XLogP3.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide (CID 24886366) is 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide is C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide?
The InChIKey is ZIIXOXVBEACGII-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-3-2-13-21(15)14-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)24(20,22)23/h4-11,15H,2-3,12-14H2,1H3,(H2,20,22,23)/t15-/m1/s1.
What are the key properties of 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide?
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 24886366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).