N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide

C15H18ClN3O2S — CID 113033740

IUPACN-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2c(C)cc(C)cc2Cl)cn1
InChIInChI=1S/C15H18ClN3O2S/c1-4-22(20,21)19-14-6-5-12(9-17-14)18-15-11(3)7-10(2)8-13(15)16/h5-9,18H,4H2,1-3H3,(H,17,19)
InChIKeyGGTAZOOOYQFZBL-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.86
Rot. Bonds5

About N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide

N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide (PubChem CID 113033740) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide
PubChem CID113033740
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC NameN-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2c(C)cc(C)cc2Cl)cn1
InChIInChI=1S/C15H18ClN3O2S/c1-4-22(20,21)19-14-6-5-12(9-17-14)18-15-11(3)7-10(2)8-13(15)16/h5-9,18H,4H2,1-3H3,(H,17,19)
InChIKeyGGTAZOOOYQFZBL-UHFFFAOYSA-N
XLogP3.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033745
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
CID 113033415
N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide
CID 112987192
2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine
CID 113032840
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113033730
N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide
CID 109181511
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-(5-chloro-2-pyridinyl)ethanesulfonamide
CID 6486787
N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113032063
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113019049
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
CID 113035551

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide (CID 113033740) is N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2c(C)cc(C)cc2Cl)cn1.
What is the InChIKey of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide?
The InChIKey is GGTAZOOOYQFZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-4-22(20,21)19-14-6-5-12(9-17-14)18-15-11(3)7-10(2)8-13(15)16/h5-9,18H,4H2,1-3H3,(H,17,19).
What are the key properties of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide?
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide has a molecular weight of 339.85 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113033740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).