1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide

C14H14ClFN2O2S — CID 106083603

IUPAC1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C14H14ClFN2O2S/c15-12-5-2-6-13(16)14(12)18-21(19,20)9-11-4-1-3-10(7-11)8-17/h1-7,18H,8-9,17H2
InChIKeyDEZPZYWAUXJMMX-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.88
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide (PubChem CID 106083603) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide
PubChem CID106083603
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C14H14ClFN2O2S/c15-12-5-2-6-13(16)14(12)18-21(19,20)9-11-4-1-3-10(7-11)8-17/h1-7,18H,8-9,17H2
InChIKeyDEZPZYWAUXJMMX-UHFFFAOYSA-N
XLogP2.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide
CID 106037003
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide
CID 106070690
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide
CID 106083674
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470
1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide
CID 29291585
4-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 106070701
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide
CID 106057447
N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114142281
1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
CID 116786572

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide (CID 106083603) is 1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide is NCc1cccc(CS(=O)(=O)Nc2c(F)cccc2Cl)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide?
The InChIKey is DEZPZYWAUXJMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c15-12-5-2-6-13(16)14(12)18-21(19,20)9-11-4-1-3-10(7-11)8-17/h1-7,18H,8-9,17H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 106083603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).