3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide

C11H9ClFN3O2S — CID 103093961

IUPAC3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ncccc2Cl)ccc1F
InChIInChI=1S/C11H9ClFN3O2S/c12-8-2-1-5-15-11(8)16-19(17,18)7-3-4-9(13)10(14)6-7/h1-6H,14H2,(H,15,16)
InChIKeyLMKFJHKGEUYPTM-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.26
Rot. Bonds3

About 3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide

3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide (PubChem CID 103093961) has the molecular formula C11H9ClFN3O2S and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
PubChem CID103093961
Molecular FormulaC11H9ClFN3O2S
Molecular Weight301.73 g/mol
Exact Mass301.01
IUPAC Name3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ncccc2Cl)ccc1F
InChIInChI=1S/C11H9ClFN3O2S/c12-8-2-1-5-15-11(8)16-19(17,18)7-3-4-9(13)10(14)6-7/h1-6H,14H2,(H,15,16)
InChIKeyLMKFJHKGEUYPTM-UHFFFAOYSA-N
XLogP2.26
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.26
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

4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 103093987
4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide
CID 82843664
4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 103943858
3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 29034135
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 103943863
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880
N-(3-chloro-2-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 103094687
5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103093986
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 103094668
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919
3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616050

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide (CID 103093961) is 3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ncccc2Cl)ccc1F.
What is the InChIKey of 3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide?
The InChIKey is LMKFJHKGEUYPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2S/c12-8-2-1-5-15-11(8)16-19(17,18)7-3-4-9(13)10(14)6-7/h1-6H,14H2,(H,15,16).
What are the key properties of 3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide?
3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide has a molecular weight of 301.73 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 103093961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).