2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride

C15H18Cl2N4O3S — CID 66877100

IUPAC2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1cccc(CNC(=O)c2cc(Cl)cnc2N)c1.Cl
InChIInChI=1S/C15H17ClN4O3S.ClH/c1-20(2)24(22,23)12-5-3-4-10(6-12)8-19-15(21)13-7-11(16)9-18-14(13)17;/h3-7,9H,8H2,1-2H3,(H2,17,18)(H,19,21);1H
InChIKeyWMONAOSFQYRIBG-UHFFFAOYSA-N
MW405.31 g/mol
LogP1.92
Rot. Bonds5

About 2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride

2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 66877100) has the molecular formula C15H18Cl2N4O3S and a molecular weight of 405.31 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride
PubChem CID66877100
Molecular FormulaC15H18Cl2N4O3S
Molecular Weight405.31 g/mol
Exact Mass404.05
IUPAC Name2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1cccc(CNC(=O)c2cc(Cl)cnc2N)c1.Cl
InChIInChI=1S/C15H17ClN4O3S.ClH/c1-20(2)24(22,23)12-5-3-4-10(6-12)8-19-15(21)13-7-11(16)9-18-14(13)17;/h3-7,9H,8H2,1-2H3,(H2,17,18)(H,19,21);1H
InChIKeyWMONAOSFQYRIBG-UHFFFAOYSA-N
XLogP1.92
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride 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

2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
CID 30839055
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 66877959
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114280117
N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 9165368
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 62503690
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
3-[[3-(dimethylsulfamoyl)phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122009600

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride (CID 66877100) is 2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride is CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cc(Cl)cnc2N)c1.Cl.
What is the InChIKey of 2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is WMONAOSFQYRIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S.ClH/c1-20(2)24(22,23)12-5-3-4-10(6-12)8-19-15(21)13-7-11(16)9-18-14(13)17;/h3-7,9H,8H2,1-2H3,(H2,17,18)(H,19,21);1H.
What are the key properties of 2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride?
2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 405.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 66877100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).