N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide

C15H18N2O3S — CID 35389857

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide
SMILESCCOc1ncccc1CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-20-15-13(5-4-10-16-15)11-17-21(18,19)14-8-6-12(2)7-9-14/h4-10,17H,3,11H2,1-2H3
InChIKeyQKZJGRDWSFTZQZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.27
Rot. Bonds6

About N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide

N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 35389857) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide
PubChem CID35389857
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide
SMILESCCOc1ncccc1CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-20-15-13(5-4-10-16-15)11-17-21(18,19)14-8-6-12(2)7-9-14/h4-10,17H,3,11H2,1-2H3
InChIKeyQKZJGRDWSFTZQZ-UHFFFAOYSA-N
XLogP2.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35389739
N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35389987
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 35389866
1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 35672961
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(4-ethoxyphenoxy)benzenesulfonamide
CID 55691577
4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121022847
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 39660540
4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148402
N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
CID 25045130
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide (CID 35389857) is N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide is CCOc1ncccc1CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is QKZJGRDWSFTZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-20-15-13(5-4-10-16-15)11-17-21(18,19)14-8-6-12(2)7-9-14/h4-10,17H,3,11H2,1-2H3.
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 35389857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).