N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide

C20H21N3O2S — CID 113023014

IUPACN-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCCN(c1cccc(C)c1)c1ccc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C20H21N3O2S/c1-3-23(18-9-7-8-16(2)14-18)20-13-12-17(15-21-20)22-26(24,25)19-10-5-4-6-11-19/h4-15,22H,3H2,1-2H3
InChIKeyXERWCZYFTPAEFG-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.35
Rot. Bonds6

About N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide

N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113023014) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113023014
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCCN(c1cccc(C)c1)c1ccc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C20H21N3O2S/c1-3-23(18-9-7-8-16(2)14-18)20-13-12-17(15-21-20)22-26(24,25)19-10-5-4-6-11-19/h4-15,22H,3H2,1-2H3
InChIKeyXERWCZYFTPAEFG-UHFFFAOYSA-N
XLogP4.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113017610
6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 61101859
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113022991
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113022970
5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 61257426
N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046847
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113051444
2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016520
N-[6-(ethylamino)-3-pyridinyl]benzenesulfonamide
CID 71038447
N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide
CID 122301871
2-ethyl-N-[6-(N-ethylanilino)-3-pyridinyl]butanamide
CID 113017550

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide (CID 113023014) is N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide is CCN(c1cccc(C)c1)c1ccc(NS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is XERWCZYFTPAEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-23(18-9-7-8-16(2)14-18)20-13-12-17(15-21-20)22-26(24,25)19-10-5-4-6-11-19/h4-15,22H,3H2,1-2H3.
What are the key properties of N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide?
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113023014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).