3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C18H24N2O3S — CID 110758584

IUPAC3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1c(C(C)(C)C)cc(C)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C18H24N2O3S/c1-13-9-15(18(2,3)4)17(23-5)16(10-13)24(21,22)20-12-14-7-6-8-19-11-14/h6-11,20H,12H2,1-5H3
InChIKeyFSOYJWGXRIQNFK-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.17
Rot. Bonds5

About 3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 110758584) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID110758584
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1c(C(C)(C)C)cc(C)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C18H24N2O3S/c1-13-9-15(18(2,3)4)17(23-5)16(10-13)24(21,22)20-12-14-7-6-8-19-11-14/h6-11,20H,12H2,1-5H3
InChIKeyFSOYJWGXRIQNFK-UHFFFAOYSA-N
XLogP3.17
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758481
5-amino-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79961726
3-methoxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100575412
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6463677
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030823
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 977109
2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide
CID 110345197
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 110758584) is 3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1c(C(C)(C)C)cc(C)cc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is FSOYJWGXRIQNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13-9-15(18(2,3)4)17(23-5)16(10-13)24(21,22)20-12-14-7-6-8-19-11-14/h6-11,20H,12H2,1-5H3.
What are the key properties of 3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110758584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).