3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide

C11H10FN3O2S — CID 29034135

IUPAC3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cccnc2)ccc1F
InChIInChI=1S/C11H10FN3O2S/c12-10-4-3-9(6-11(10)13)18(16,17)15-8-2-1-5-14-7-8/h1-7,15H,13H2
InChIKeyNTSXPLHQSDDMAR-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.60
Rot. Bonds3

About 3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide

3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 29034135) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
PubChem CID29034135
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Name3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cccnc2)ccc1F
InChIInChI=1S/C11H10FN3O2S/c12-10-4-3-9(6-11(10)13)18(16,17)15-8-2-1-5-14-7-8/h1-7,15H,13H2
InChIKeyNTSXPLHQSDDMAR-UHFFFAOYSA-N
XLogP1.60
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.60
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-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 71991673
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033379
3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616050
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539756
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 116529293
3-amino-5-chloro-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 103050184
3-amino-N-(3-ethynylphenyl)-4-fluorobenzenesulfonamide
CID 61111759
3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 103093961
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide (CID 29034135) is 3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2cccnc2)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is NTSXPLHQSDDMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c12-10-4-3-9(6-11(10)13)18(16,17)15-8-2-1-5-14-7-8/h1-7,15H,13H2.
What are the key properties of 3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide?
3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 267.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 29034135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).