N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide

C20H21N3O2S — CID 113016544

IUPACN-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide
SMILESCN(c1ccccc1)c1ccc(NS(=O)(=O)CCc2ccccc2)cn1
InChIInChI=1S/C20H21N3O2S/c1-23(19-10-6-3-7-11-19)20-13-12-18(16-21-20)22-26(24,25)15-14-17-8-4-2-5-9-17/h2-13,16,22H,14-15H2,1H3
InChIKeyUGJISPISTDHHRE-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.83
Rot. Bonds7

About N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide

N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide (PubChem CID 113016544) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide
PubChem CID113016544
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide
SMILESCN(c1ccccc1)c1ccc(NS(=O)(=O)CCc2ccccc2)cn1
InChIInChI=1S/C20H21N3O2S/c1-23(19-10-6-3-7-11-19)20-13-12-18(16-21-20)22-26(24,25)15-14-17-8-4-2-5-9-17/h2-13,16,22H,14-15H2,1H3
InChIKeyUGJISPISTDHHRE-UHFFFAOYSA-N
XLogP3.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395
N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113015430
2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide
CID 71939376
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113010814
N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113017610
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016520
N-[6-(2-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018483
2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016532
N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018574
N-[6-(N-methylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113016495

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide (CID 113016544) is N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide is CN(c1ccccc1)c1ccc(NS(=O)(=O)CCc2ccccc2)cn1.
What is the InChIKey of N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide?
The InChIKey is UGJISPISTDHHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-23(19-10-6-3-7-11-19)20-13-12-18(16-21-20)22-26(24,25)15-14-17-8-4-2-5-9-17/h2-13,16,22H,14-15H2,1H3.
What are the key properties of N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide?
N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113016544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).