N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C21H22N2O4S — CID 108781417

IUPACN-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C21H22N2O4S/c1-15-12-20(27-3)21(13-16(15)2)28(25,26)23(14-17-8-6-7-11-22-17)18-9-4-5-10-19(18)24/h4-13,24H,14H2,1-3H3
InChIKeyGJRCODFALFFRGE-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.81
Rot. Bonds6

About N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 108781417) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID108781417
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C21H22N2O4S/c1-15-12-20(27-3)21(13-16(15)2)28(25,26)23(14-17-8-6-7-11-22-17)18-9-4-5-10-19(18)24/h4-13,24H,14H2,1-3H3
InChIKeyGJRCODFALFFRGE-UHFFFAOYSA-N
XLogP3.81
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 108781422
N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906814
N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
CID 66485774
2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982979
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027719
5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 52907215
N-(2-hydroxyphenyl)-3-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 108755925
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189251
2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 167886085
4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide
CID 108732561

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 108781417) is N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccccn1)c1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is GJRCODFALFFRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-15-12-20(27-3)21(13-16(15)2)28(25,26)23(14-17-8-6-7-11-22-17)18-9-4-5-10-19(18)24/h4-13,24H,14H2,1-3H3.
What are the key properties of N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 108781417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).