N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide

C20H21N3O2S — CID 113031280

IUPACN-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)Nc1ccc(Nc2ccccc2)cn1
InChIInChI=1S/C20H21N3O2S/c24-26(25,15-7-10-17-8-3-1-4-9-17)23-20-14-13-19(16-21-20)22-18-11-5-2-6-12-18/h1-6,8-9,11-14,16,22H,7,10,15H2,(H,21,23)
InChIKeySQCZXGDNJMLTNW-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.20
Rot. Bonds8

About N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide

N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide (PubChem CID 113031280) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
PubChem CID113031280
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)Nc1ccc(Nc2ccccc2)cn1
InChIInChI=1S/C20H21N3O2S/c24-26(25,15-7-10-17-8-3-1-4-9-17)23-20-14-13-19(16-21-20)22-18-11-5-2-6-12-18/h1-6,8-9,11-14,16,22H,7,10,15H2,(H,21,23)
InChIKeySQCZXGDNJMLTNW-UHFFFAOYSA-N
XLogP4.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113026569
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113027066
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113017433
N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide
CID 113051393
N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113030616
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113034482
N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113029860
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018574
N-[6-(2-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018483

Frequently Asked Questions

What is the IUPAC name of N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide (CID 113031280) is N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)Nc1ccc(Nc2ccccc2)cn1.
What is the InChIKey of N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide?
The InChIKey is SQCZXGDNJMLTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-26(25,15-7-10-17-8-3-1-4-9-17)23-20-14-13-19(16-21-20)22-18-11-5-2-6-12-18/h1-6,8-9,11-14,16,22H,7,10,15H2,(H,21,23).
What are the key properties of N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide?
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113031280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).