N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide

C22H25N3O2S — CID 113017433

IUPACN-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide
SMILESCCc1ccccc1Nc1ccc(NS(=O)(=O)CCCc2ccccc2)cn1
InChIInChI=1S/C22H25N3O2S/c1-2-19-12-6-7-13-21(19)24-22-15-14-20(17-23-22)25-28(26,27)16-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-15,17,25H,2,8,11,16H2,1H3,(H,23,24)
InChIKeyLHFDNBTXTLEDRD-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.76
Rot. Bonds9

About N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide

N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide (PubChem CID 113017433) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide
PubChem CID113017433
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide
SMILESCCc1ccccc1Nc1ccc(NS(=O)(=O)CCCc2ccccc2)cn1
InChIInChI=1S/C22H25N3O2S/c1-2-19-12-6-7-13-21(19)24-22-15-14-20(17-23-22)25-28(26,27)16-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-15,17,25H,2,8,11,16H2,1H3,(H,23,24)
InChIKeyLHFDNBTXTLEDRD-UHFFFAOYSA-N
XLogP4.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-ethylanilino)-3-pyridinyl]ethanesulfonamide
CID 113017407
N-[6-(2-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018483
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113026569
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113027066
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113017701
N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113015430
1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea
CID 113017398
N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018574
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113010814
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide (CID 113017433) is N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide is CCc1ccccc1Nc1ccc(NS(=O)(=O)CCCc2ccccc2)cn1.
What is the InChIKey of N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is LHFDNBTXTLEDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-2-19-12-6-7-13-21(19)24-22-15-14-20(17-23-22)25-28(26,27)16-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-15,17,25H,2,8,11,16H2,1H3,(H,23,24).
What are the key properties of N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide?
N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 395.53 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113017433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).