2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide

C14H14ClFN2O2S — CID 106031148

IUPAC2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(F)ccc1CN
InChIInChI=1S/C14H14ClFN2O2S/c1-9-2-4-11(15)6-13(9)18-21(19,20)14-7-12(16)5-3-10(14)8-17/h2-7,18H,8,17H2,1H3
InChIKeyNYTGHHYRYCUDRK-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.05
Rot. Bonds4

About 2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide

2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide (PubChem CID 106031148) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
PubChem CID106031148
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(F)ccc1CN
InChIInChI=1S/C14H14ClFN2O2S/c1-9-2-4-11(15)6-13(9)18-21(19,20)14-7-12(16)5-3-10(14)8-17/h2-7,18H,8,17H2,1H3
InChIKeyNYTGHHYRYCUDRK-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 16781852
5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 28716515
2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide
CID 106060439
N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344384
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 106031168
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide
CID 106088506

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide (CID 106031148) is 2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(F)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide?
The InChIKey is NYTGHHYRYCUDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-9-2-4-11(15)6-13(9)18-21(19,20)14-7-12(16)5-3-10(14)8-17/h2-7,18H,8,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide?
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 106031148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).