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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Related Compounds

2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide
CID 90313870
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide
CID 90313395
5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine
CID 90312983
2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]benzenesulfonamide
CID 90314096
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-1,1-dihydroxypropan-2-yl]benzenesulfonamide
CID 137396116
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 90314186
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonyl-2-methylpropanamide
CID 90314595
2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid
CID 123453367
N-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]pyrrolidine-1-sulfinamide
CID 137396073
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide
CID 90314393
5-[2-fluoro-4-(2-methylsulfanylphenyl)phenyl]pyrimidin-2-amine
CID 144679120
5-[2-fluoro-4-(2-methylsulfinylphenyl)phenyl]pyrimidin-2-amine
CID 137396080

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).