N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide

C15H17ClN2O2S — CID 106058600

IUPACN-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-17-10-12-5-4-7-14(9-12)21(19,20)18-11-13-6-2-3-8-15(13)16/h2-9,17-18H,10-11H2,1H3
InChIKeyBPWPBQVGLGEBFA-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.54
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide

N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106058600) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106058600
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-17-10-12-5-4-7-14(9-12)21(19,20)18-11-13-6-2-3-8-15(13)16/h2-9,17-18H,10-11H2,1H3
InChIKeyBPWPBQVGLGEBFA-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106058641
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106083517
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 29297863
N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106006523
N-(4-chlorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106060719
N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 114138869

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide (CID 106058600) is N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is BPWPBQVGLGEBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-17-10-12-5-4-7-14(9-12)21(19,20)18-11-13-6-2-3-8-15(13)16/h2-9,17-18H,10-11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide?
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106058600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).