2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide

C21H23N3O3S — CID 126806500

IUPAC2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide
SMILESCCc1ccc(NCc2ccccc2OCc2ccccn2)cc1S(N)(=O)=O
InChIInChI=1S/C21H23N3O3S/c1-2-16-10-11-18(13-21(16)28(22,25)26)24-14-17-7-3-4-9-20(17)27-15-19-8-5-6-12-23-19/h3-13,24H,2,14-15H2,1H3,(H2,22,25,26)
InChIKeyPFEVLWLWBJRVOQ-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.48
Rot. Bonds8

About 2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide

2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide (PubChem CID 126806500) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide
PubChem CID126806500
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide
SMILESCCc1ccc(NCc2ccccc2OCc2ccccn2)cc1S(N)(=O)=O
InChIInChI=1S/C21H23N3O3S/c1-2-16-10-11-18(13-21(16)28(22,25)26)24-14-17-7-3-4-9-20(17)27-15-19-8-5-6-12-23-19/h3-13,24H,2,14-15H2,1H3,(H2,22,25,26)
InChIKeyPFEVLWLWBJRVOQ-UHFFFAOYSA-N
XLogP3.48
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile
CID 75471136
2-ethyl-5-[(2-fluoro-5-methoxy-3-pyridinyl)methylamino]benzenesulfonamide
CID 126832244
2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide
CID 141094870
2-ethyl-2-[[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]butanoic acid
CID 122129162
2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 167886085
3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110883598
2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 119112492
2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol
CID 111448684
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945
4-bromo-N-[(2-ethoxyphenyl)methyl]-3-methylaniline
CID 28546731
2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027719
2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 52781998

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide?
The IUPAC name of 2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide (CID 126806500) is 2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide?
The canonical SMILES for 2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide is CCc1ccc(NCc2ccccc2OCc2ccccn2)cc1S(N)(=O)=O.
What is the InChIKey of 2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide?
The InChIKey is PFEVLWLWBJRVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-2-16-10-11-18(13-21(16)28(22,25)26)24-14-17-7-3-4-9-20(17)27-15-19-8-5-6-12-23-19/h3-13,24H,2,14-15H2,1H3,(H2,22,25,26).
What are the key properties of 2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide?
2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 126806500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).