5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide

C11H8ClF2N3O2S — CID 103093987

IUPAC5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ncccc2Cl)c(F)cc1F
InChIInChI=1S/C11H8ClF2N3O2S/c12-6-2-1-3-16-11(6)17-20(18,19)10-5-9(15)7(13)4-8(10)14/h1-5H,15H2,(H,16,17)
InChIKeyUWWOMCAXHAXRHV-UHFFFAOYSA-N
MW319.72 g/mol
LogP2.40
Rot. Bonds3

About 5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide

5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide (PubChem CID 103093987) has the molecular formula C11H8ClF2N3O2S and a molecular weight of 319.72 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide
PubChem CID103093987
Molecular FormulaC11H8ClF2N3O2S
Molecular Weight319.72 g/mol
Exact Mass319.00
IUPAC Name5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ncccc2Cl)c(F)cc1F
InChIInChI=1S/C11H8ClF2N3O2S/c12-6-2-1-3-16-11(6)17-20(18,19)10-5-9(15)7(13)4-8(10)14/h1-5H,15H2,(H,16,17)
InChIKeyUWWOMCAXHAXRHV-UHFFFAOYSA-N
XLogP2.40
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 103093961
5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103093986
5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 116530437
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide
CID 103093927
4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 103093928
5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 61110957
5-amino-N-[(2-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 28537421
N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 106086586
5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide
CID 103093895
5-amino-2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103093873

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide (CID 103093987) is 5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ncccc2Cl)c(F)cc1F.
What is the InChIKey of 5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is UWWOMCAXHAXRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3O2S/c12-6-2-1-3-16-11(6)17-20(18,19)10-5-9(15)7(13)4-8(10)14/h1-5H,15H2,(H,16,17).
What are the key properties of 5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide?
5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 319.72 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 103093987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).