N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride

C13H20ClN3O3S — CID 120707602

IUPACN,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-16(2)13(17)10-3-5-12(6-4-10)20(18,19)15-11-7-8-14-9-11;/h3-6,11,14-15H,7-9H2,1-2H3;1H
InChIKeySIESWHMHTPXISI-UHFFFAOYSA-N
MW333.84 g/mol
LogP0.45
Rot. Bonds4

About N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride

N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride (PubChem CID 120707602) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride
PubChem CID120707602
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC NameN,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-16(2)13(17)10-3-5-12(6-4-10)20(18,19)15-11-7-8-14-9-11;/h3-6,11,14-15H,7-9H2,1-2H3;1H
InChIKeySIESWHMHTPXISI-UHFFFAOYSA-N
XLogP0.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;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

N,N-dimethyl-4-(piperidin-3-ylsulfamoyl)benzamide;hydrochloride
CID 120707147
N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 79685787
4-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 62378636
N-[2-(dimethylamino)ethyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 70720005
N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide
CID 79685894
4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966760
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119966761
dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride
CID 119967037
4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967100
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
N,N-dimethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]benzamide
CID 120726525

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride (CID 120707602) is N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride is CN(C)C(=O)c1ccc(S(=O)(=O)NC2CCNC2)cc1.Cl.
What is the InChIKey of N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride?
The InChIKey is SIESWHMHTPXISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S.ClH/c1-16(2)13(17)10-3-5-12(6-4-10)20(18,19)15-11-7-8-14-9-11;/h3-6,11,14-15H,7-9H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride?
N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride has a molecular weight of 333.84 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 120707602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).