3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide

C13H14FN3O3S — CID 60733892

IUPAC3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide
SMILESCOc1ncccc1CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C13H14FN3O3S/c1-20-13-9(3-2-6-16-13)8-17-12-5-4-10(7-11(12)14)21(15,18)19/h2-7,17H,8H2,1H3,(H2,15,18,19)
InChIKeyRWFSPQUYBXCAHY-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.49
Rot. Bonds5

About 3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide

3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide (PubChem CID 60733892) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide
PubChem CID60733892
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC Name3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide
SMILESCOc1ncccc1CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C13H14FN3O3S/c1-20-13-9(3-2-6-16-13)8-17-12-5-4-10(7-11(12)14)21(15,18)19/h2-7,17H,8H2,1H3,(H2,15,18,19)
InChIKeyRWFSPQUYBXCAHY-UHFFFAOYSA-N
XLogP1.49
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
CID 64693654
5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 107591882
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628
2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 60859341
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-fluorobenzenesulfonamide
CID 115990498
2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 61059679
2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-4-nitroaniline
CID 46604120
2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide
CID 114384819
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
4-(azepan-1-ylsulfonyl)-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline
CID 46576642
3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine
CID 104776820

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide (CID 60733892) is 3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide is COc1ncccc1CNc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide?
The InChIKey is RWFSPQUYBXCAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-20-13-9(3-2-6-16-13)8-17-12-5-4-10(7-11(12)14)21(15,18)19/h2-7,17H,8H2,1H3,(H2,15,18,19).
What are the key properties of 3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide?
3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide has a molecular weight of 311.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 60733892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).