1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide

C15H17ClN2O2S — CID 106070690

IUPAC1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-11-3-2-4-14(16)15(11)18-21(19,20)10-13-7-5-12(9-17)6-8-13/h2-8,18H,9-10,17H2,1H3
InChIKeyPIVOEOVCLJLVPM-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.05
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide (PubChem CID 106070690) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide
PubChem CID106070690
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-11-3-2-4-14(16)15(11)18-21(19,20)10-13-7-5-12(9-17)6-8-13/h2-8,18H,9-10,17H2,1H3
InChIKeyPIVOEOVCLJLVPM-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 106070701
1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide
CID 106083603
N-(2-chloro-6-methylphenyl)-2-(methylamino)ethanesulfonamide
CID 66256869
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 17257579
4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 106070735
2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline
CID 164644414
1-(4-chlorophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 18891284
1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide
CID 106057447
5-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106070672
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 66255534
5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 66254351

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide (CID 106070690) is 1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide is Cc1cccc(Cl)c1NS(=O)(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide?
The InChIKey is PIVOEOVCLJLVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11-3-2-4-14(16)15(11)18-21(19,20)10-13-7-5-12(9-17)6-8-13/h2-8,18H,9-10,17H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide is sourced from PubChem (CID 106070690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).