N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide

C14H15F2N3O2S — CID 113037630

IUPACN-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C14H15F2N3O2S/c1-2-7-22(20,21)19-14-6-4-11(9-17-14)18-10-3-5-12(15)13(16)8-10/h3-6,8-9,18H,2,7H2,1H3,(H,17,19)
InChIKeyXDDOAFKYXNELSM-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.26
Rot. Bonds6

About N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide

N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide (PubChem CID 113037630) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
PubChem CID113037630
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC NameN-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C14H15F2N3O2S/c1-2-7-22(20,21)19-14-6-4-11(9-17-14)18-10-3-5-12(15)13(16)8-10/h3-6,8-9,18H,2,7H2,1H3,(H,17,19)
InChIKeyXDDOAFKYXNELSM-UHFFFAOYSA-N
XLogP3.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676
N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113023261
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
CID 113033415
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
CID 113037637
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113032063
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113035669
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113023763
N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
CID 113034106

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide (CID 113037630) is N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide?
The InChIKey is XDDOAFKYXNELSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c1-2-7-22(20,21)19-14-6-4-11(9-17-14)18-10-3-5-12(15)13(16)8-10/h3-6,8-9,18H,2,7H2,1H3,(H,17,19).
What are the key properties of N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide?
N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide has a molecular weight of 327.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113037630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).