1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide

C14H14Cl2N2O2S — CID 106057447

IUPAC1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2O2S/c15-12-5-6-14(13(16)7-12)18-21(19,20)9-11-3-1-10(8-17)2-4-11/h1-7,18H,8-9,17H2
InChIKeyBJBKHUBPQJCPBD-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.39
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide (PubChem CID 106057447) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide
PubChem CID106057447
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2O2S/c15-12-5-6-14(13(16)7-12)18-21(19,20)9-11-3-1-10(8-17)2-4-11/h1-7,18H,8-9,17H2
InChIKeyBJBKHUBPQJCPBD-UHFFFAOYSA-N
XLogP3.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.39
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
1-(4-chlorophenyl)-N-(2,5-dichlorophenyl)methanesulfonamide
CID 18891286
1-[4-(aminomethyl)phenyl]-N-(2-fluoro-4-methylphenyl)methanesulfonamide
CID 28892351
1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide
CID 29291585
1-[4-(aminomethyl)phenyl]-N-(2-bromophenyl)methanesulfonamide
CID 106061234
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide
CID 106070690
N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 64788737
N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 43237000
1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 18891357
1-(4-chlorophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 18891284
4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 60822640

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide (CID 106057447) is 1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide is NCc1ccc(CS(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide?
The InChIKey is BJBKHUBPQJCPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c15-12-5-6-14(13(16)7-12)18-21(19,20)9-11-3-1-10(8-17)2-4-11/h1-7,18H,8-9,17H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.39, 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-(2,4-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 106057447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).