N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide

C16H21N3O2S — CID 113029747

IUPACN-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(C)cc2)nc1
InChIInChI=1S/C16H21N3O2S/c1-4-19(5-2)14-8-11-16(17-12-14)18-22(20,21)15-9-6-13(3)7-10-15/h6-12H,4-5H2,1-3H3,(H,17,18)
InChIKeyFNQZLUMJQXCEBE-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.04
Rot. Bonds6

About N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide

N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 113029747) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID113029747
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(C)cc2)nc1
InChIInChI=1S/C16H21N3O2S/c1-4-19(5-2)14-8-11-16(17-12-14)18-22(20,21)15-9-6-13(3)7-10-15/h6-12H,4-5H2,1-3H3,(H,17,18)
InChIKeyFNQZLUMJQXCEBE-UHFFFAOYSA-N
XLogP3.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide
CID 113029789
N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113029754
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113035556
N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 82343399
N-[4-[[5-(dipropylamino)-2-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113030987
N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113029763
N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113030968
N-(5-isocyano-2-pyridinyl)-4-methylbenzenesulfonamide
CID 156676151
4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide
CID 113029784

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide (CID 113029747) is N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccc(C)cc2)nc1.
What is the InChIKey of N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is FNQZLUMJQXCEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-19(5-2)14-8-11-16(17-12-14)18-22(20,21)15-9-6-13(3)7-10-15/h6-12H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide?
N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113029747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).