N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide

C13H11ClFNO2S — CID 3851131

IUPACN-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C13H11ClFNO2S/c14-13-7-2-1-4-10(13)9-16-19(17,18)12-6-3-5-11(15)8-12/h1-8,16H,9H2
InChIKeyLHJGEYIMSVAPIG-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.96
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide

N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide (PubChem CID 3851131) has the molecular formula C13H11ClFNO2S and a molecular weight of 299.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
PubChem CID3851131
Molecular FormulaC13H11ClFNO2S
Molecular Weight299.75 g/mol
Exact Mass299.02
IUPAC NameN-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C13H11ClFNO2S/c14-13-7-2-1-4-10(13)9-16-19(17,18)12-6-3-5-11(15)8-12/h1-8,16H,9H2
InChIKeyLHJGEYIMSVAPIG-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106058641
3-amino-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 29269508
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106058600
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110781006
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[(3-chloro-2,6-difluorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 5179910
3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3857699

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide (CID 3851131) is N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide is O=S(=O)(NCc1ccccc1Cl)c1cccc(F)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide?
The InChIKey is LHJGEYIMSVAPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2S/c14-13-7-2-1-4-10(13)9-16-19(17,18)12-6-3-5-11(15)8-12/h1-8,16H,9H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide?
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide has a molecular weight of 299.75 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 3851131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).