N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide

C16H21N3O2S — CID 113032063

IUPACN-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cc(C)ccc2C)cn1
InChIInChI=1S/C16H21N3O2S/c1-4-9-22(20,21)19-16-8-7-14(11-17-16)18-15-10-12(2)5-6-13(15)3/h5-8,10-11,18H,4,9H2,1-3H3,(H,17,19)
InChIKeyBBYLFPKUYXVMBL-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.59
Rot. Bonds6

About N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide

N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide (PubChem CID 113032063) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
PubChem CID113032063
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cc(C)ccc2C)cn1
InChIInChI=1S/C16H21N3O2S/c1-4-9-22(20,21)19-16-8-7-14(11-17-16)18-15-10-12(2)5-6-13(15)3/h5-8,10-11,18H,4,9H2,1-3H3,(H,17,19)
InChIKeyBBYLFPKUYXVMBL-UHFFFAOYSA-N
XLogP3.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113046314
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113032078
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113032084
N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113034482
N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
CID 112987095
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113035669

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide (CID 113032063) is N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2cc(C)ccc2C)cn1.
What is the InChIKey of N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide?
The InChIKey is BBYLFPKUYXVMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-9-22(20,21)19-16-8-7-14(11-17-16)18-15-10-12(2)5-6-13(15)3/h5-8,10-11,18H,4,9H2,1-3H3,(H,17,19).
What are the key properties of N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide?
N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113032063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).