2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide

C18H16FN3O2S — CID 90313870

IUPAC2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1
InChIInChI=1S/C18H16FN3O2S/c1-21-25(23,24)17-5-3-2-4-15(17)12-6-8-14(16(19)10-12)13-7-9-18(20)22-11-13/h2-11,21H,1H3,(H2,20,22)
InChIKeyNYYZYAXOIDQHKX-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.05
Rot. Bonds4

About 2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide

2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide (PubChem CID 90313870) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide
PubChem CID90313870
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1
InChIInChI=1S/C18H16FN3O2S/c1-21-25(23,24)17-5-3-2-4-15(17)12-6-8-14(16(19)10-12)13-7-9-18(20)22-11-13/h2-11,21H,1H3,(H2,20,22)
InChIKeyNYYZYAXOIDQHKX-UHFFFAOYSA-N
XLogP3.05
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide (CID 90313870) is 2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1.
What is the InChIKey of 2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide?
The InChIKey is NYYZYAXOIDQHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-21-25(23,24)17-5-3-2-4-15(17)12-6-8-14(16(19)10-12)13-7-9-18(20)22-11-13/h2-11,21H,1H3,(H2,20,22).
What are the key properties of 2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide?
2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 90313870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).