N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide

C16H21N3O2S — CID 113032862

IUPACN-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide
SMILESCCc1cccc(CC)c1Nc1ccc(NS(C)(=O)=O)nc1
InChIInChI=1S/C16H21N3O2S/c1-4-12-7-6-8-13(5-2)16(12)18-14-9-10-15(17-11-14)19-22(3,20)21/h6-11,18H,4-5H2,1-3H3,(H,17,19)
InChIKeyHRVUIZAVJGQFNS-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.32
Rot. Bonds6

About N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide

N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide (PubChem CID 113032862) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide
PubChem CID113032862
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide
SMILESCCc1cccc(CC)c1Nc1ccc(NS(C)(=O)=O)nc1
InChIInChI=1S/C16H21N3O2S/c1-4-12-7-6-8-13(5-2)16(12)18-14-9-10-15(17-11-14)19-22(3,20)21/h6-11,18H,4-5H2,1-3H3,(H,17,19)
InChIKeyHRVUIZAVJGQFNS-UHFFFAOYSA-N
XLogP3.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide
CID 113034304
N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide
CID 113035997
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113017701
1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea
CID 113032861
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-2-methylpropanamide
CID 113032651
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113017714
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
CID 113032674
N-[5-(2-methoxyethylamino)-2-pyridinyl]methanesulfonamide
CID 113025091
N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide
CID 113035788
N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide
CID 113017964
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012399
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113011606

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide (CID 113032862) is N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide is CCc1cccc(CC)c1Nc1ccc(NS(C)(=O)=O)nc1.
What is the InChIKey of N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide?
The InChIKey is HRVUIZAVJGQFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-12-7-6-8-13(5-2)16(12)18-14-9-10-15(17-11-14)19-22(3,20)21/h6-11,18H,4-5H2,1-3H3,(H,17,19).
What are the key properties of N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide?
N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 113032862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).