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

C23H30N2O2S — CID 24885661

IUPACN-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NC3CCC3)cc2)cc1
InChIInChI=1S/C23H30N2O2S/c1-18-4-3-16-25(18)17-15-19-7-9-20(10-8-19)21-11-13-23(14-12-21)28(26,27)24-22-5-2-6-22/h7-14,18,22,24H,2-6,15-17H2,1H3/t18-/m1/s1
InChIKeyVRMVSYUYAWQPOU-GOSISDBHSA-N
MW398.57 g/mol
LogP4.21
Rot. Bonds7

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

N-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide (PubChem CID 24885661) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
PubChem CID24885661
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC NameN-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NC3CCC3)cc2)cc1
InChIInChI=1S/C23H30N2O2S/c1-18-4-3-16-25(18)17-15-19-7-9-20(10-8-19)21-11-13-23(14-12-21)28(26,27)24-22-5-2-6-22/h7-14,18,22,24H,2-6,15-17H2,1H3/t18-/m1/s1
InChIKeyVRMVSYUYAWQPOU-GOSISDBHSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pf-04455242
CID 44599828
4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonic Acid Ethylamide
CID 23649185
[1,1'-Biphenyl]-4-sulfonamide, 4'-[2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl]-N-(tetrahydro-2H-pyran-4-yl)-
CID 24884554
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonyl-1,4-thiazinane 1,1-dioxide
CID 24885255
N-benzyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886136
(R)-1-[2-(4'-Ethanesulfonyl-biphenyl-4-yl)-ethyl]-2-methyl-pyrrolidine
CID 24900017
(R)-2-Methyl-1-{2-[4'-(propane-1-sulfonyl)-biphenyl-4-yl]-ethyl}-pyrrolidine
CID 24900020
4-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 976424
4-{2-[(2-Phenylethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 17158039
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

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide?
The IUPAC name of N-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide (CID 24885661) is N-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide is C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NC3CCC3)cc2)cc1.
What is the InChIKey of N-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide?
The InChIKey is VRMVSYUYAWQPOU-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-18-4-3-16-25(18)17-15-19-7-9-20(10-8-19)21-11-13-23(14-12-21)28(26,27)24-22-5-2-6-22/h7-14,18,22,24H,2-6,15-17H2,1H3/t18-/m1/s1.
What are the key properties of N-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide?
N-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide has a molecular weight of 398.57 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 24885661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).