4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

C12H10ClFN2O2S — CID 26947494

IUPAC4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc(Cl)cc1F
InChIInChI=1S/C12H10ClFN2O2S/c13-10-3-4-12(11(14)6-10)19(17,18)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2
InChIKeyZIZOQROBEXFUIS-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.35
Rot. Bonds4

About 4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 26947494) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID26947494
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Name4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc(Cl)cc1F
InChIInChI=1S/C12H10ClFN2O2S/c13-10-3-4-12(11(14)6-10)19(17,18)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2
InChIKeyZIZOQROBEXFUIS-UHFFFAOYSA-N
XLogP2.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
CID 81094378
3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030751
4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60984178
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47103942
5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758481
3-amino-4-fluoro-2,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 107325579
5-fluoro-2-(methylaminomethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030781
4-chloro-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
CID 2411456
4-chloro-2-fluoro-N-[[3-(propan-2-ylamino)phenyl]methyl]benzenesulfonamide
CID 71855196
3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6463677
4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948090

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 26947494) is 4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccnc1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is ZIZOQROBEXFUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c13-10-3-4-12(11(14)6-10)19(17,18)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2.
What are the key properties of 4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 300.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 26947494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).