2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide

C15H19N3O3S — CID 167886085

IUPAC2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide
SMILESCOc1cc(NCc2ccccn2)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H19N3O3S/c1-18(2)22(19,20)15-8-7-12(10-14(15)21-3)17-11-13-6-4-5-9-16-13/h4-10,17H,11H2,1-3H3
InChIKeyQPEQKCDTWNNYNX-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.95
Rot. Bonds6

About 2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide

2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide (PubChem CID 167886085) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide
PubChem CID167886085
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide
SMILESCOc1cc(NCc2ccccn2)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H19N3O3S/c1-18(2)22(19,20)15-8-7-12(10-14(15)21-3)17-11-13-6-4-5-9-16-13/h4-10,17H,11H2,1-3H3
InChIKeyQPEQKCDTWNNYNX-UHFFFAOYSA-N
XLogP1.95
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982979
2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112982956
2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027719
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945
2-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 81272878
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
CID 43730278
N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide
CID 113027696
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
N,N-dimethyl-3-(pyridin-2-ylmethylamino)benzamide
CID 43725442
2-(2-methoxyphenoxy)-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027673
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 25477825

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide (CID 167886085) is 2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide is COc1cc(NCc2ccccn2)ccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide?
The InChIKey is QPEQKCDTWNNYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-18(2)22(19,20)15-8-7-12(10-14(15)21-3)17-11-13-6-4-5-9-16-13/h4-10,17H,11H2,1-3H3.
What are the key properties of 2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide?
2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 167886085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).