N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide

C15H19N3O2S — CID 113032137

IUPACN-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H19N3O2S/c1-4-21(19,20)18-15-8-7-14(10-16-15)17-13-6-5-11(2)12(3)9-13/h5-10,17H,4H2,1-3H3,(H,16,18)
InChIKeyYWGLUHGFTZNDKV-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.20
Rot. Bonds5

About N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide

N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide (PubChem CID 113032137) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
PubChem CID113032137
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H19N3O2S/c1-4-21(19,20)18-15-8-7-14(10-16-15)17-13-6-5-11(2)12(3)9-13/h5-10,17H,4H2,1-3H3,(H,16,18)
InChIKeyYWGLUHGFTZNDKV-UHFFFAOYSA-N
XLogP3.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113046386
N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
CID 113034106
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
CID 113033415
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide
CID 113036265
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
CID 113035551
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113033740
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113032063

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide (CID 113032137) is N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2ccc(C)c(C)c2)cn1.
What is the InChIKey of N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide?
The InChIKey is YWGLUHGFTZNDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-21(19,20)18-15-8-7-14(10-16-15)17-13-6-5-11(2)12(3)9-13/h5-10,17H,4H2,1-3H3,(H,16,18).
What are the key properties of N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide?
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113032137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).