2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide

C13H22ClN3O2S — CID 106074343

IUPAC2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(Cl)c(S(=O)(=O)NC(C)CN(C)C)c1
InChIInChI=1S/C13H22ClN3O2S/c1-10(9-17(3)4)16-20(18,19)13-7-11(8-15-2)5-6-12(13)14/h5-7,10,15-16H,8-9H2,1-4H3
InChIKeyMZPIFBFZPAFBHC-UHFFFAOYSA-N
MW319.86 g/mol
LogP1.29
Rot. Bonds7

About 2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide

2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 106074343) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide
PubChem CID106074343
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC Name2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(Cl)c(S(=O)(=O)NC(C)CN(C)C)c1
InChIInChI=1S/C13H22ClN3O2S/c1-10(9-17(3)4)16-20(18,19)13-7-11(8-15-2)5-6-12(13)14/h5-7,10,15-16H,8-9H2,1-4H3
InChIKeyMZPIFBFZPAFBHC-UHFFFAOYSA-N
XLogP1.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide 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

N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106074318
2-chloro-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079618
2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018832
2-chloro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053736
2-chloro-5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055614
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106074298
2-chloro-5-(methylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 106085332
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 114380051
2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide
CID 106029837
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82950147
2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106060611

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide (CID 106074343) is 2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(Cl)c(S(=O)(=O)NC(C)CN(C)C)c1.
What is the InChIKey of 2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is MZPIFBFZPAFBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2S/c1-10(9-17(3)4)16-20(18,19)13-7-11(8-15-2)5-6-12(13)14/h5-7,10,15-16H,8-9H2,1-4H3.
What are the key properties of 2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide?
2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 319.86 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106074343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).