N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide

C23H28N2O4S — CID 71909879

IUPACN-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC(C3CCOCC3)C2)c1
InChIInChI=1S/C23H28N2O4S/c1-24(21-7-3-2-4-8-21)30(27,28)22-9-5-6-19(16-22)23(26)25-13-10-20(17-25)18-11-14-29-15-12-18/h2-9,16,18,20H,10-15,17H2,1H3
InChIKeyMOHOFBHZZUYTAW-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.40
Rot. Bonds5

About N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide

N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide (PubChem CID 71909879) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
PubChem CID71909879
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC(C3CCOCC3)C2)c1
InChIInChI=1S/C23H28N2O4S/c1-24(21-7-3-2-4-8-21)30(27,28)22-9-5-6-19(16-22)23(26)25-13-10-20(17-25)18-11-14-29-15-12-18/h2-9,16,18,20H,10-15,17H2,1H3
InChIKeyMOHOFBHZZUYTAW-UHFFFAOYSA-N
XLogP3.40
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2331661
N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55330146
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 9295928
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 119483403
3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2336771
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55334117
3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 56561398
3-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 46669783
N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 42907938
N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354508
N,N-diethyl-2-[4-[3-[methyl(phenyl)sulfamoyl]benzoyl]-1,4-diazepan-1-yl]acetamide
CID 55631894
3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 55517416

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide?
The IUPAC name of N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide (CID 71909879) is N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC(C3CCOCC3)C2)c1.
What is the InChIKey of N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide?
The InChIKey is MOHOFBHZZUYTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-24(21-7-3-2-4-8-21)30(27,28)22-9-5-6-19(16-22)23(26)25-13-10-20(17-25)18-11-14-29-15-12-18/h2-9,16,18,20H,10-15,17H2,1H3.
What are the key properties of N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide?
N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide has a molecular weight of 428.55 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 71909879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).