4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide

C22H24N2O4S — CID 55766353

IUPAC4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)C(c2ccccc2)c2ccccn2)cc1OC
InChIInChI=1S/C22H24N2O4S/c1-16-14-19(27-3)20(28-4)15-21(16)29(25,26)24(2)22(17-10-6-5-7-11-17)18-12-8-9-13-23-18/h5-15,22H,1-4H3
InChIKeyLFZPHDQLBWDFBE-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.82
Rot. Bonds7

About 4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide

4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide (PubChem CID 55766353) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
PubChem CID55766353
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)C(c2ccccc2)c2ccccn2)cc1OC
InChIInChI=1S/C22H24N2O4S/c1-16-14-19(27-3)20(28-4)15-21(16)29(25,26)24(2)22(17-10-6-5-7-11-17)18-12-8-9-13-23-18/h5-15,22H,1-4H3
InChIKeyLFZPHDQLBWDFBE-UHFFFAOYSA-N
XLogP3.82
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 47065174
N-methyl-N-[methyl-[(S)-phenyl(pyridin-2-yl)methyl]sulfamoyl]propan-2-amine
CID 97194118
4-ethylsulfonyl-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 55914421
4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541458
3-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]-4-propan-2-yloxybenzamide
CID 55767493
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 51169894
N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide
CID 60609634
4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55768262
3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 55881341
N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55767815
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene
CID 23312101

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide (CID 55766353) is 4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)C(c2ccccc2)c2ccccn2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The InChIKey is LFZPHDQLBWDFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-16-14-19(27-3)20(28-4)15-21(16)29(25,26)24(2)22(17-10-6-5-7-11-17)18-12-8-9-13-23-18/h5-15,22H,1-4H3.
What are the key properties of 4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide has a molecular weight of 412.51 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 55766353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).