4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide

C20H21N3O2S — CID 112982965

IUPAC4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-16-6-12-20(13-7-16)26(24,25)23-18-10-8-17(9-11-18)22-15-19-5-3-4-14-21-19/h3-14,22-23H,2,15H2,1H3
InChIKeyWNXBIZOXIFOZTQ-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.06
Rot. Bonds7

About 4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide

4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide (PubChem CID 112982965) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
PubChem CID112982965
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-16-6-12-20(13-7-16)26(24,25)23-18-10-8-17(9-11-18)22-15-19-5-3-4-14-21-19/h3-14,22-23H,2,15H2,1H3
InChIKeyWNXBIZOXIFOZTQ-UHFFFAOYSA-N
XLogP4.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 58896333
N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112982966
2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112982956
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982979
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
CID 67330648
N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 171350897
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide
CID 113027696
4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985145
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide (CID 112982965) is 4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccn3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide?
The InChIKey is WNXBIZOXIFOZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-2-16-6-12-20(13-7-16)26(24,25)23-18-10-8-17(9-11-18)22-15-19-5-3-4-14-21-19/h3-14,22-23H,2,15H2,1H3.
What are the key properties of 4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide?
4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112982965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).