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

C14H14ClFN2O2S — CID 28716515

IUPAC5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(CN)ccc1F
InChIInChI=1S/C14H14ClFN2O2S/c1-9-2-4-11(15)7-13(9)18-21(19,20)14-6-10(8-17)3-5-12(14)16/h2-7,18H,8,17H2,1H3
InChIKeyWHPMWFXCOYKZIF-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.05
Rot. Bonds4

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

5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 28716515) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
PubChem CID28716515
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(CN)ccc1F
InChIInChI=1S/C14H14ClFN2O2S/c1-9-2-4-11(15)7-13(9)18-21(19,20)14-6-10(8-17)3-5-12(14)16/h2-7,18H,8,17H2,1H3
InChIKeyWHPMWFXCOYKZIF-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

5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 106031168
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 106031148
4-chloro-2-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444702
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 106029190
4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106996652
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 60822640
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 106082976
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 106070814
4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
CID 106996572
4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 106039463

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide (CID 28716515) is 5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(CN)ccc1F.
What is the InChIKey of 5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is WHPMWFXCOYKZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-9-2-4-11(15)7-13(9)18-21(19,20)14-6-10(8-17)3-5-12(14)16/h2-7,18H,8,17H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide?
5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-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 5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 28716515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).