5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine

C15H18N2O4S — CID 161183408

IUPAC5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(CS(=O)(=O)c2cc(OC)ccc2OC)cn1
InChIInChI=1S/C15H18N2O4S/c1-16-15-7-4-11(9-17-15)10-22(18,19)14-8-12(20-2)5-6-13(14)21-3/h4-9H,10H2,1-3H3,(H,16,17)
InChIKeyUSTRKTCAJVVRPW-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.11
Rot. Bonds6

About 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine

5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine (PubChem CID 161183408) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine
PubChem CID161183408
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(CS(=O)(=O)c2cc(OC)ccc2OC)cn1
InChIInChI=1S/C15H18N2O4S/c1-16-15-7-4-11(9-17-15)10-22(18,19)14-8-12(20-2)5-6-13(14)21-3/h4-9H,10H2,1-3H3,(H,16,17)
InChIKeyUSTRKTCAJVVRPW-UHFFFAOYSA-N
XLogP2.11
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(2,5-dimethoxyphenyl)sulfonylmethyl]quinolin-6-yl]methyl methanesulfonate
CID 157350617
methyl 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]pyridine-3-carboxylate
CID 148788780
2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine
CID 149046563
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 55627601
N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide
CID 113030058
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 158000615
2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 8505651
N-methyl-5-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine
CID 62193963
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 62208653
2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 24662891
5-[(3-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 55046271

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine (CID 161183408) is 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine is CNc1ccc(CS(=O)(=O)c2cc(OC)ccc2OC)cn1.
What is the InChIKey of 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine?
The InChIKey is USTRKTCAJVVRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-16-15-7-4-11(9-17-15)10-22(18,19)14-8-12(20-2)5-6-13(14)21-3/h4-9H,10H2,1-3H3,(H,16,17).
What are the key properties of 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine?
5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine has a molecular weight of 322.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 161183408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).