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

C19H18ClN3O2S — CID 113018574

IUPACN-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C19H18ClN3O2S/c20-16-7-4-8-17(13-16)22-19-10-9-18(14-21-19)23-26(24,25)12-11-15-5-2-1-3-6-15/h1-10,13-14,23H,11-12H2,(H,21,22)
InChIKeyJEFVDGFQVLXUCG-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.46
Rot. Bonds7

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

N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide (PubChem CID 113018574) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
PubChem CID113018574
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C19H18ClN3O2S/c20-16-7-4-8-17(13-16)22-19-10-9-18(14-21-19)23-26(24,25)12-11-15-5-2-1-3-6-15/h1-10,13-14,23H,11-12H2,(H,21,22)
InChIKeyJEFVDGFQVLXUCG-UHFFFAOYSA-N
XLogP4.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113047510
N-[6-(2-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018483
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide
CID 112987053
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113010814
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113048267
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide (CID 113018574) is N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1ccc(Nc2cccc(Cl)c2)nc1.
What is the InChIKey of N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide?
The InChIKey is JEFVDGFQVLXUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-16-7-4-8-17(13-16)22-19-10-9-18(14-21-19)23-26(24,25)12-11-15-5-2-1-3-6-15/h1-10,13-14,23H,11-12H2,(H,21,22).
What are the key properties of N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide?
N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide has a molecular weight of 387.89 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113018574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).