3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide

C14H15ClN2O2S — CID 60858657

IUPAC3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNCc2cccc(Cl)c2)c1
InChIInChI=1S/C14H15ClN2O2S/c15-13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(8-12)20(16,18)19/h1-8,17H,9-10H2,(H2,16,18,19)
InChIKeyUGTIVOWYEWBQGN-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.28
Rot. Bonds5

About 3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide

3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide (PubChem CID 60858657) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
PubChem CID60858657
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNCc2cccc(Cl)c2)c1
InChIInChI=1S/C14H15ClN2O2S/c15-13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(8-12)20(16,18)19/h1-8,17H,9-10H2,(H2,16,18,19)
InChIKeyUGTIVOWYEWBQGN-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide
CID 60859954
3-[[(3-chloro-2-hydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 115951552
3-[[(2,3-dihydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 61319103
3-amino-4-[(3-chlorophenyl)methylamino]benzenesulfonamide
CID 62538734
potassium 3-chlorobenzenesulfonamide
CID 19353487
3-[(heptylamino)methyl]benzenesulfonamide
CID 60859949
3-[[(4-bromo-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 66474654
3-[(octylamino)methyl]benzenesulfonamide
CID 60860115
3-[[(5-bromothiophen-3-yl)methylamino]methyl]benzenesulfonamide
CID 54927129
1-[(3-chlorophenyl)methyl]-1,2-dimethyl-3-[(3-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111305448
3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide
CID 64592159

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide (CID 60858657) is 3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide is NS(=O)(=O)c1cccc(CNCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide?
The InChIKey is UGTIVOWYEWBQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(8-12)20(16,18)19/h1-8,17H,9-10H2,(H2,16,18,19).
What are the key properties of 3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide?
3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 60858657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).