N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide

C16H21N3O2S — CID 2573371

IUPACN,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/N=c2\ccccn2C)cc1
InChIInChI=1S/C16H21N3O2S/c1-4-19(5-2)22(20,21)15-11-9-14(10-12-15)17-16-8-6-7-13-18(16)3/h6-13H,4-5H2,1-3H3/b17-16+
InChIKeyPDGJCBCFJHFTPG-WUKNDPDISA-N
MW319.43 g/mol
LogP2.29
Rot. Bonds5

About N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide

N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide (PubChem CID 2573371) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide
PubChem CID2573371
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/N=c2\ccccn2C)cc1
InChIInChI=1S/C16H21N3O2S/c1-4-19(5-2)22(20,21)15-11-9-14(10-12-15)17-16-8-6-7-13-18(16)3/h6-13H,4-5H2,1-3H3/b17-16+
InChIKeyPDGJCBCFJHFTPG-WUKNDPDISA-N
XLogP2.29
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide (CID 2573371) is N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(/N=c2\ccccn2C)cc1.
What is the InChIKey of N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide?
The InChIKey is PDGJCBCFJHFTPG-WUKNDPDISA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-19(5-2)22(20,21)15-11-9-14(10-12-15)17-16-8-6-7-13-18(16)3/h6-13H,4-5H2,1-3H3/b17-16+.
What are the key properties of N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide?
N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide is sourced from PubChem (CID 2573371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).