N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide

C19H24N2O3S — CID 110362056

IUPACN-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(N2CCCC2)cc1NS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H24N2O3S/c1-14-6-8-17(12-15(14)2)25(22,23)20-18-13-16(7-9-19(18)24-3)21-10-4-5-11-21/h6-9,12-13,20H,4-5,10-11H2,1-3H3
InChIKeyNAZPEPIFPHLHSR-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.71
Rot. Bonds5

About N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide

N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 110362056) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID110362056
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(N2CCCC2)cc1NS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H24N2O3S/c1-14-6-8-17(12-15(14)2)25(22,23)20-18-13-16(7-9-19(18)24-3)21-10-4-5-11-21/h6-9,12-13,20H,4-5,10-11H2,1-3H3
InChIKeyNAZPEPIFPHLHSR-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707
3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 110359837
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzenesulfonamide
CID 7483084
N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110359714
4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359732
4-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-nitrobenzenesulfonamide
CID 26966142
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110362086
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 110362802

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide (CID 110362056) is N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide is COc1ccc(N2CCCC2)cc1NS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is NAZPEPIFPHLHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-6-8-17(12-15(14)2)25(22,23)20-18-13-16(7-9-19(18)24-3)21-10-4-5-11-21/h6-9,12-13,20H,4-5,10-11H2,1-3H3.
What are the key properties of N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide?
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110362056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).