2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide

C21H22N2O3S — CID 137396760

IUPAC2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ncccc2OCc2ccccc2)c(C)c1
InChIInChI=1S/C21H22N2O3S/c1-15-12-16(2)20(17(3)13-15)27(24,25)23-21-19(10-7-11-22-21)26-14-18-8-5-4-6-9-18/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyKMGJRLCZNPDDLE-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.39
Rot. Bonds6

About 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide

2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide (PubChem CID 137396760) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide
PubChem CID137396760
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ncccc2OCc2ccccc2)c(C)c1
InChIInChI=1S/C21H22N2O3S/c1-15-12-16(2)20(17(3)13-15)27(24,25)23-21-19(10-7-11-22-21)26-14-18-8-5-4-6-9-18/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyKMGJRLCZNPDDLE-UHFFFAOYSA-N
XLogP4.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 2728379
2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide
CID 60681294
4-fluoro-N-(3-hydroxy-2-pyridinyl)-2,6-dimethylbenzenesulfonamide
CID 107327732
4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide
CID 84563209
N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113026445
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide
CID 57493723
ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate
CID 139362692
3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 139945086
N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide
CID 167880342
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 11684972
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 69387275

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide (CID 137396760) is 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ncccc2OCc2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide?
The InChIKey is KMGJRLCZNPDDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-15-12-16(2)20(17(3)13-15)27(24,25)23-21-19(10-7-11-22-21)26-14-18-8-5-4-6-9-18/h4-13H,14H2,1-3H3,(H,22,23).
What are the key properties of 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide?
2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 137396760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).