5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide

C14H14ClFN2O2S — CID 106029190

IUPAC5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-9-2-3-10(8-17)6-14(9)21(19,20)18-13-5-4-11(16)7-12(13)15/h2-7,18H,8,17H2,1H3
InChIKeyAMWRHZLUTYEKAS-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.05
Rot. Bonds4

About 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide

5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide (PubChem CID 106029190) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
PubChem CID106029190
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-9-2-3-10(8-17)6-14(9)21(19,20)18-13-5-4-11(16)7-12(13)15/h2-7,18H,8,17H2,1H3
InChIKeyAMWRHZLUTYEKAS-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)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717455
5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 28716515
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106029213
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
5-amino-4-bromo-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 114625024
5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717477
5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006581
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 106031148
N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
CID 8500802
5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 106061933

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide (CID 106029190) is 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide is Cc1ccc(CN)cc1S(=O)(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is AMWRHZLUTYEKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-9-2-3-10(8-17)6-14(9)21(19,20)18-13-5-4-11(16)7-12(13)15/h2-7,18H,8,17H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide?
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide 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-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106029190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).