2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide

C26H30N2O3S — CID 59643771

IUPAC2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1S(=O)(=O)Nc1c(C)cc(C)c(N2CCCC2)c1C
InChIInChI=1S/C26H30N2O3S/c1-18-16-19(2)26(28-14-8-9-15-28)20(3)25(18)27-32(29,30)24-17-22(12-13-23(24)31-4)21-10-6-5-7-11-21/h5-7,10-13,16-17,27H,8-9,14-15H2,1-4H3
InChIKeyICCDGQVQKJMIRV-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.69
Rot. Bonds6

About 2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide

2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide (PubChem CID 59643771) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide
PubChem CID59643771
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1S(=O)(=O)Nc1c(C)cc(C)c(N2CCCC2)c1C
InChIInChI=1S/C26H30N2O3S/c1-18-16-19(2)26(28-14-8-9-15-28)20(3)25(18)27-32(29,30)24-17-22(12-13-23(24)31-4)21-10-6-5-7-11-21/h5-7,10-13,16-17,27H,8-9,14-15H2,1-4H3
InChIKeyICCDGQVQKJMIRV-UHFFFAOYSA-N
XLogP5.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778794
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
N-[4-(azepan-1-yl)phenyl]-5-chloro-2-methoxybenzenesulfonamide
CID 112985795
4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 100516902
4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 100710078
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 16677699
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113031113
2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039038
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide
CID 18180082
2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098161
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide (CID 59643771) is 2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide is COc1ccc(-c2ccccc2)cc1S(=O)(=O)Nc1c(C)cc(C)c(N2CCCC2)c1C.
What is the InChIKey of 2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is ICCDGQVQKJMIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-18-16-19(2)26(28-14-8-9-15-28)20(3)25(18)27-32(29,30)24-17-22(12-13-23(24)31-4)21-10-6-5-7-11-21/h5-7,10-13,16-17,27H,8-9,14-15H2,1-4H3.
What are the key properties of 2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide?
2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 450.60 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 59643771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).