4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide

C19H16FN3O3S — CID 50915038

IUPAC4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H16FN3O3S/c20-17-5-1-2-6-18(17)27(25,26)22-12-14-7-9-15(10-8-14)19(24)23-16-4-3-11-21-13-16/h1-11,13,22H,12H2,(H,23,24)
InChIKeyPMQQKEAZCSSVAG-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.95
Rot. Bonds6

About 4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide

4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide (PubChem CID 50915038) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
PubChem CID50915038
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H16FN3O3S/c20-17-5-1-2-6-18(17)27(25,26)22-12-14-7-9-15(10-8-14)19(24)23-16-4-3-11-21-13-16/h1-11,13,22H,12H2,(H,23,24)
InChIKeyPMQQKEAZCSSVAG-UHFFFAOYSA-N
XLogP2.95
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70661029
4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521819
4-[[[3-(prop-2-enoylamino)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50912860
2-methyl-4-[[4-(pyridin-3-ylcarbamoyl)phenyl]methylsulfamoyl]benzoic acid
CID 118158424
4-[[[4-[3-(2-aminoethoxy)propyl]phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70659860
methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate
CID 47006128
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
4-methoxy-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 2203728
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
4-[[[4-[3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 67641494
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide (CID 50915038) is 4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of 4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The InChIKey is PMQQKEAZCSSVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c20-17-5-1-2-6-18(17)27(25,26)22-12-14-7-9-15(10-8-14)19(24)23-16-4-3-11-21-13-16/h1-11,13,22H,12H2,(H,23,24).
What are the key properties of 4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide has a molecular weight of 385.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 50915038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).