4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide

C20H25N3O3S — CID 97317013

IUPAC4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
SMILESCN(C)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1
InChIInChI=1S/C20H25N3O3S/c1-22(2)14-16-12-13-23(15-16)20(24)17-8-10-19(11-9-17)27(25,26)21-18-6-4-3-5-7-18/h3-11,16,21H,12-15H2,1-2H3/t16-/m1/s1
InChIKeyRYHUPHFWRMESRV-MRXNPFEDSA-N
MW387.51 g/mol
LogP2.51
Rot. Bonds6

About 4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide

4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide (PubChem CID 97317013) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
PubChem CID97317013
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
SMILESCN(C)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1
InChIInChI=1S/C20H25N3O3S/c1-22(2)14-16-12-13-23(15-16)20(24)17-8-10-19(11-9-17)27(25,26)21-18-6-4-3-5-7-18/h3-11,16,21H,12-15H2,1-2H3/t16-/m1/s1
InChIKeyRYHUPHFWRMESRV-MRXNPFEDSA-N
XLogP2.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660136
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 118720903
4-(4-methylpiperazin-4-ium-1-carbonyl)-N-phenylbenzenesulfonamide
CID 7040269
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 119541041
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 56512192
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide
CID 119542236
tert-butyl 4-[[methyl-[4-(phenylsulfamoyl)benzoyl]amino]methyl]piperidine-1-carboxylate
CID 118720901
N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 86958237
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159
4-[4-(3,3-dimethylbutyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55976243
4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide;hydrochloride
CID 119486880

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide (CID 97317013) is 4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide is CN(C)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1.
What is the InChIKey of 4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide?
The InChIKey is RYHUPHFWRMESRV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22(2)14-16-12-13-23(15-16)20(24)17-8-10-19(11-9-17)27(25,26)21-18-6-4-3-5-7-18/h3-11,16,21H,12-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide?
4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 97317013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).