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

C18H16FN3O2S — CID 90313538

IUPACN-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1
InChIInChI=1S/C18H16FN3O2S/c1-25(23,24)22-17-5-3-2-4-15(17)12-6-8-14(16(19)10-12)13-7-9-18(20)21-11-13/h2-11,22H,1H3,(H2,20,21)
InChIKeyBQAOFOARCFCPTK-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.51
Rot. Bonds4

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

N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide (PubChem CID 90313538) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide
PubChem CID90313538
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1
InChIInChI=1S/C18H16FN3O2S/c1-25(23,24)22-17-5-3-2-4-15(17)12-6-8-14(16(19)10-12)13-7-9-18(20)21-11-13/h2-11,22H,1H3,(H2,20,21)
InChIKeyBQAOFOARCFCPTK-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide (CID 90313538) is N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1.
What is the InChIKey of N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide?
The InChIKey is BQAOFOARCFCPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-25(23,24)22-17-5-3-2-4-15(17)12-6-8-14(16(19)10-12)13-7-9-18(20)21-11-13/h2-11,22H,1H3,(H2,20,21).
What are the key properties of N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide?
N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 90313538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).