N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide

C21H23N3O2S — CID 113032157

IUPACN-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)CCc3ccccc3)nc2)cc1C
InChIInChI=1S/C21H23N3O2S/c1-16-8-9-19(14-17(16)2)23-20-10-11-21(22-15-20)24-27(25,26)13-12-18-6-4-3-5-7-18/h3-11,14-15,23H,12-13H2,1-2H3,(H,22,24)
InChIKeyKMHLAUMUWNQWRA-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.43
Rot. Bonds7

About N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide

N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide (PubChem CID 113032157) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
PubChem CID113032157
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)CCc3ccccc3)nc2)cc1C
InChIInChI=1S/C21H23N3O2S/c1-16-8-9-19(14-17(16)2)23-20-10-11-21(22-15-20)24-27(25,26)13-12-18-6-4-3-5-7-18/h3-11,14-15,23H,12-13H2,1-2H3,(H,22,24)
InChIKeyKMHLAUMUWNQWRA-UHFFFAOYSA-N
XLogP4.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113046405
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113034482
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113026569
N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018574
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113010814
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113048267
N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113029780

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide (CID 113032157) is N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide is Cc1ccc(Nc2ccc(NS(=O)(=O)CCc3ccccc3)nc2)cc1C.
What is the InChIKey of N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide?
The InChIKey is KMHLAUMUWNQWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-16-8-9-19(14-17(16)2)23-20-10-11-21(22-15-20)24-27(25,26)13-12-18-6-4-3-5-7-18/h3-11,14-15,23H,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide?
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113032157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).