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

C24H32N2O3S — CID 24884554

IUPAC4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NC3CCOCC3)cc2)cc1
InChIInChI=1S/C24H32N2O3S/c1-19-3-2-15-26(19)16-12-20-4-6-21(7-5-20)22-8-10-24(11-9-22)30(27,28)25-23-13-17-29-18-14-23/h4-11,19,23,25H,2-3,12-18H2,1H3/t19-/m1/s1
InChIKeyRRAGUTZCGCIMCD-LJQANCHMSA-N
MW428.60 g/mol
LogP3.84
Rot. Bonds7

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

4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 24884554) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide
PubChem CID24884554
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NC3CCOCC3)cc2)cc1
InChIInChI=1S/C24H32N2O3S/c1-19-3-2-15-26(19)16-12-20-4-6-21(7-5-20)22-8-10-24(11-9-22)30(27,28)25-23-13-17-29-18-14-23/h4-11,19,23,25H,2-3,12-18H2,1H3/t19-/m1/s1
InChIKeyRRAGUTZCGCIMCD-LJQANCHMSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonic Acid Ethylamide
CID 23649185
N-benzyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886136
4-{4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonyl}-morpholine
CID 24886365
(R)-2-Methyl-1-{2-[4'-(tetrahydro-pyran-4-ylmethanesulfonyl)-biphenyl-4-yl]-ethyl}-pyrrolidine
CID 24897476
(2R)-2-methyl-1-[2-[4-[4-(oxan-2-ylmethylsulfonyl)phenyl]phenyl]ethyl]pyrrolidine
CID 24897683
4-methoxy-1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine
CID 44254046
N-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24885661
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-propylbenzenesulfonamide
CID 24885663
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-propan-2-ylbenzenesulfonamide
CID 24885664
N-(2-methoxyethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24885890
N,N-diethyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886133
N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886138

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide (CID 24884554) is 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide is C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NC3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is RRAGUTZCGCIMCD-LJQANCHMSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-19-3-2-15-26(19)16-12-20-4-6-21(7-5-20)22-8-10-24(11-9-22)30(27,28)25-23-13-17-29-18-14-23/h4-11,19,23,25H,2-3,12-18H2,1H3/t19-/m1/s1.
What are the key properties of 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide?
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 428.60 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 24884554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).