5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide

C14H16ClN3O2S — CID 106033207

IUPAC5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)Nc2cccnc2)c1C
InChIInChI=1S/C14H16ClN3O2S/c1-10-11(8-16-2)6-12(15)7-14(10)21(19,20)18-13-4-3-5-17-9-13/h3-7,9,16,18H,8H2,1-2H3
InChIKeyPHBJKGSEZUQUGD-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.56
Rot. Bonds5

About 5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide

5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 106033207) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID106033207
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)Nc2cccnc2)c1C
InChIInChI=1S/C14H16ClN3O2S/c1-10-11(8-16-2)6-12(15)7-14(10)21(19,20)18-13-4-3-5-17-9-13/h3-7,9,16,18H,8H2,1-2H3
InChIKeyPHBJKGSEZUQUGD-UHFFFAOYSA-N
XLogP2.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 106033836
4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033379
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033343
5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 82884286
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033482
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
3-amino-5-chloro-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 103050184
5-chloro-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 9267841
5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 82885171
2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 114264309
2,6-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 890470

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide (CID 106033207) is 5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide is CNCc1cc(Cl)cc(S(=O)(=O)Nc2cccnc2)c1C.
What is the InChIKey of 5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is PHBJKGSEZUQUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-10-11(8-16-2)6-12(15)7-14(10)21(19,20)18-13-4-3-5-17-9-13/h3-7,9,16,18H,8H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106033207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).