N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide

C17H23N3O2S — CID 113029754

IUPACN-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)nc1
InChIInChI=1S/C17H23N3O2S/c1-5-20(6-2)15-9-10-17(18-12-15)19-23(21,22)16-11-13(3)7-8-14(16)4/h7-12H,5-6H2,1-4H3,(H,18,19)
InChIKeyGFAVUMNTYMZAMV-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.35
Rot. Bonds6

About N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide

N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113029754) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
PubChem CID113029754
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)nc1
InChIInChI=1S/C17H23N3O2S/c1-5-20(6-2)15-9-10-17(18-12-15)19-23(21,22)16-11-13(3)7-8-14(16)4/h7-12H,5-6H2,1-4H3,(H,18,19)
InChIKeyGFAVUMNTYMZAMV-UHFFFAOYSA-N
XLogP3.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747
N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113029763
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676
4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide
CID 113029789
N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113034396
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113009793
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026115
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026317
N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113032625

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide (CID 113029754) is N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)nc1.
What is the InChIKey of N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is GFAVUMNTYMZAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-5-20(6-2)15-9-10-17(18-12-15)19-23(21,22)16-11-13(3)7-8-14(16)4/h7-12H,5-6H2,1-4H3,(H,18,19).
What are the key properties of N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 3.35, 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]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113029754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).