5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide

C13H11Cl2FN2O2S — CID 106060630

IUPAC5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cccc(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2FN2O2S/c14-11-6-12(15)13(4-8(11)7-17)21(19,20)18-10-3-1-2-9(16)5-10/h1-6,18H,7,17H2
InChIKeyNUQUVPUYXMUYSB-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.39
Rot. Bonds4

About 5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide

5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide (PubChem CID 106060630) has the molecular formula C13H11Cl2FN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide
PubChem CID106060630
Molecular FormulaC13H11Cl2FN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.99
IUPAC Name5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cccc(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2FN2O2S/c14-11-6-12(15)13(4-8(11)7-17)21(19,20)18-10-3-1-2-9(16)5-10/h1-6,18H,7,17H2
InChIKeyNUQUVPUYXMUYSB-UHFFFAOYSA-N
XLogP3.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060604
2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide
CID 106060439
5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071273
5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071940
2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106060611
4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 17377299
5-(aminomethyl)-N-(3-fluorophenyl)furan-2-sulfonamide
CID 106060640
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
1-fluoro-3-(sulfamoylamino)benzene
CID 112573204
2-(aminomethyl)-N-(3-chlorophenyl)benzenesulfonamide
CID 106060498
2-chloro-N-[3-(chloromethyl)phenyl]-5-fluorobenzenesulfonamide
CID 105400633
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide (CID 106060630) is 5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide is NCc1cc(S(=O)(=O)Nc2cccc(F)c2)c(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide?
The InChIKey is NUQUVPUYXMUYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O2S/c14-11-6-12(15)13(4-8(11)7-17)21(19,20)18-10-3-1-2-9(16)5-10/h1-6,18H,7,17H2.
What are the key properties of 5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide?
5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide has a molecular weight of 349.21 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 106060630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).