N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide

C20H21N3O3S — CID 113021250

IUPACN-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C20H21N3O3S/c1-2-27(24,25)23-18-10-13-20(21-14-18)22-17-8-11-19(12-9-17)26-15-16-6-4-3-5-7-16/h3-14,23H,2,15H2,1H3,(H,21,22)
InChIKeyCDKUNEDJVCVFJU-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.17
Rot. Bonds8

About N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide

N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide (PubChem CID 113021250) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide
PubChem CID113021250
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C20H21N3O3S/c1-2-27(24,25)23-18-10-13-20(21-14-18)22-17-8-11-19(12-9-17)26-15-16-6-4-3-5-7-16/h3-14,23H,2,15H2,1H3,(H,21,22)
InChIKeyCDKUNEDJVCVFJU-UHFFFAOYSA-N
XLogP4.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113049923
N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
CID 112988919
ethyl N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]carbamate
CID 113021244
N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide
CID 113019236
3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
CID 113021236
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842
N-[6-(2-ethylanilino)-3-pyridinyl]ethanesulfonamide
CID 113017407
methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020650
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate
CID 113049917
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113019129
N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide
CID 112987701

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide (CID 113021250) is N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide?
The InChIKey is CDKUNEDJVCVFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-2-27(24,25)23-18-10-13-20(21-14-18)22-17-8-11-19(12-9-17)26-15-16-6-4-3-5-7-16/h3-14,23H,2,15H2,1H3,(H,21,22).
What are the key properties of N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide?
N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113021250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).