N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide

C16H20N2O2S — CID 90168120

IUPACN,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cccnc2C)cc1
InChIInChI=1S/C16H20N2O2S/c1-4-18(5-2)21(19,20)15-10-8-14(9-11-15)16-7-6-12-17-13(16)3/h6-12H,4-5H2,1-3H3
InChIKeyCHULRYIVJSUPCO-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.09
Rot. Bonds5

About N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide

N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 90168120) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID90168120
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cccnc2C)cc1
InChIInChI=1S/C16H20N2O2S/c1-4-18(5-2)21(19,20)15-10-8-14(9-11-15)16-7-6-12-17-13(16)3/h6-12H,4-5H2,1-3H3
InChIKeyCHULRYIVJSUPCO-UHFFFAOYSA-N
XLogP3.09
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-yl)benzenesulfonamide
CID 4740479
N,N-diethylquinoline-7-sulfonamide
CID 143961440
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
N,N-diethyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958862
3-[4-(methoxymethyl)phenyl]-2-methylpyridine
CID 90168009
N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide
CID 725634
N,N-diethylpyrimidine-2-sulfonamide
CID 44520462
ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine
CID 144506103
N,N-diethyl-4-trimethylsilylbenzenesulfonamide
CID 11254658
N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583148
[4-(diethylsulfamoyl)phenyl]azanium
CID 163754929
N,N-diethyl-4-sulfanylbenzenesulfonamide
CID 15027344

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide (CID 90168120) is N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2cccnc2C)cc1.
What is the InChIKey of N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is CHULRYIVJSUPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-18(5-2)21(19,20)15-10-8-14(9-11-15)16-7-6-12-17-13(16)3/h6-12H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide?
N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 90168120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).