4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide

C13H13F2N3O2S — CID 106934579

IUPAC4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H13F2N3O2S/c1-2-18(10-3-5-17-6-4-10)21(19,20)13-11(14)7-9(16)8-12(13)15/h3-8H,2,16H2,1H3
InChIKeyPHWFZQJIFMRVSF-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.16
Rot. Bonds4

About 4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide

4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106934579) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106934579
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H13F2N3O2S/c1-2-18(10-3-5-17-6-4-10)21(19,20)13-11(14)7-9(16)8-12(13)15/h3-8H,2,16H2,1H3
InChIKeyPHWFZQJIFMRVSF-UHFFFAOYSA-N
XLogP2.16
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934536
2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934561
2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937084
2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 103744756
2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 103768572
4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
CID 60984863
3,5-difluoro-4-(2-pyridin-4-ylethylsulfonyl)aniline
CID 61367659
N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356
N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 63233568
N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide
CID 136561863
5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide
CID 103768575
4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide
CID 54888877

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide (CID 106934579) is 4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide is CCN(c1ccncc1)S(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is PHWFZQJIFMRVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-2-18(10-3-5-17-6-4-10)21(19,20)13-11(14)7-9(16)8-12(13)15/h3-8H,2,16H2,1H3.
What are the key properties of 4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide?
4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106934579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).