N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide

C21H23N3O2S — CID 113032625

IUPACN-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
SMILESCCN(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)nc1
InChIInChI=1S/C21H23N3O2S/c1-4-24(18-8-6-5-7-9-18)19-11-13-21(22-15-19)23-27(25,26)20-12-10-16(2)17(3)14-20/h5-15H,4H2,1-3H3,(H,22,23)
InChIKeyOQZAFJJPTJATED-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.66
Rot. Bonds6

About N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide

N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 113032625) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
PubChem CID113032625
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
SMILESCCN(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)nc1
InChIInChI=1S/C21H23N3O2S/c1-4-24(18-8-6-5-7-9-18)19-11-13-21(22-15-19)23-27(25,26)20-12-10-16(2)17(3)14-20/h5-15H,4H2,1-3H3,(H,22,23)
InChIKeyOQZAFJJPTJATED-UHFFFAOYSA-N
XLogP4.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113030968
N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747
N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 62354753
N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113029754
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
4-methoxy-N-[5-(N-methylanilino)-2-pyridinyl]benzenesulfonamide
CID 113031714
N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046847
4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634665
4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide
CID 113029789
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113027464

Frequently Asked Questions

What is the IUPAC name of N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide (CID 113032625) is N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide is CCN(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)nc1.
What is the InChIKey of N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is OQZAFJJPTJATED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-4-24(18-8-6-5-7-9-18)19-11-13-21(22-15-19)23-27(25,26)20-12-10-16(2)17(3)14-20/h5-15H,4H2,1-3H3,(H,22,23).
What are the key properties of N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide?
N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113032625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).