5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide

C15H17ClN2O3S — CID 141351209

IUPAC5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O3S/c1-21-14-7-4-12(9-17)8-15(14)22(19,20)18-10-11-2-5-13(16)6-3-11/h2-8,18H,9-10,17H2,1H3
InChIKeyAJPJJTVCGOLMQQ-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.29
Rot. Bonds6

About 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide

5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 141351209) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
PubChem CID141351209
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O3S/c1-21-14-7-4-12(9-17)8-15(14)22(19,20)18-10-11-2-5-13(16)6-3-11/h2-8,18H,9-10,17H2,1H3
InChIKeyAJPJJTVCGOLMQQ-UHFFFAOYSA-N
XLogP2.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 4982528
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 28717822
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062917
5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide
CID 119103357
[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate
CID 55306794
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide (CID 141351209) is 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide is COc1ccc(CN)cc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is AJPJJTVCGOLMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-21-14-7-4-12(9-17)8-15(14)22(19,20)18-10-11-2-5-13(16)6-3-11/h2-8,18H,9-10,17H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide?
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 340.83 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 141351209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).