4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide

C20H17FN2O2S — CID 24656443

IUPAC4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C20H17FN2O2S/c1-15-13-17(21)9-11-20(15)26(24,25)23-19-7-4-5-16(14-19)8-10-18-6-2-3-12-22-18/h2-14,23H,1H3/b10-8+
InChIKeyYZYLRDVMOIJDNA-CSKARUKUSA-N
MW368.43 g/mol
LogP4.50
Rot. Bonds5

About 4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide

4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide (PubChem CID 24656443) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
PubChem CID24656443
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C20H17FN2O2S/c1-15-13-17(21)9-11-20(15)26(24,25)23-19-7-4-5-16(14-19)8-10-18-6-2-3-12-22-18/h2-14,23H,1H3/b10-8+
InChIKeyYZYLRDVMOIJDNA-CSKARUKUSA-N
XLogP4.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 6224152
3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide
CID 8004148
4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 40664221
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate
CID 24510150
4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
CID 100691508
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 7938889
4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 39330217
4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide (CID 24656443) is 4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(/C=C/c2ccccn2)c1.
What is the InChIKey of 4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
The InChIKey is YZYLRDVMOIJDNA-CSKARUKUSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-15-13-17(21)9-11-20(15)26(24,25)23-19-7-4-5-16(14-19)8-10-18-6-2-3-12-22-18/h2-14,23H,1H3/b10-8+.
What are the key properties of 4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide has a molecular weight of 368.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 24656443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).