2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide

C13H12ClFN2O2S — CID 106088506

IUPAC2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c14-11-6-5-10(15)7-12(11)17-20(18,19)13-4-2-1-3-9(13)8-16/h1-7,17H,8,16H2
InChIKeyBLKHJCLOBNBEGJ-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.74
Rot. Bonds4

About 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide

2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide (PubChem CID 106088506) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide
PubChem CID106088506
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c14-11-6-5-10(15)7-12(11)17-20(18,19)13-4-2-1-3-9(13)8-16/h1-7,17H,8,16H2
InChIKeyBLKHJCLOBNBEGJ-UHFFFAOYSA-N
XLogP2.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 16781852
N-[2-(aminomethyl)phenyl]-2-bromo-4-fluorobenzenesulfonamide
CID 64895248
2-(aminomethyl)-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006776
2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 106087423
N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400700
2-(aminomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809509
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 106031148
2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060822
2-(aminomethyl)-N-(3-chlorophenyl)benzenesulfonamide
CID 106060498
2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide
CID 106060439
2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
CID 107526668
5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 107529035

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide (CID 106088506) is 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide is NCc1ccccc1S(=O)(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide?
The InChIKey is BLKHJCLOBNBEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c14-11-6-5-10(15)7-12(11)17-20(18,19)13-4-2-1-3-9(13)8-16/h1-7,17H,8,16H2.
What are the key properties of 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide?
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 106088506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).