N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride

C13H20ClN3O3S — CID 154750787

IUPACN,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C2CCNC2)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-9-3-4-10(7-12(9)20(14,18)19)13(17)16(2)11-5-6-15-8-11;/h3-4,7,11,15H,5-6,8H2,1-2H3,(H2,14,18,19);1H
InChIKeyBPGZISVMGVFFEB-UHFFFAOYSA-N
MW333.84 g/mol
LogP0.50
Rot. Bonds3

About N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride

N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride (PubChem CID 154750787) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride.

Molecular Properties

Compound NameN,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride
PubChem CID154750787
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC NameN,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C2CCNC2)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-9-3-4-10(7-12(9)20(14,18)19)13(17)16(2)11-5-6-15-8-11;/h3-4,7,11,15H,5-6,8H2,1-2H3,(H2,14,18,19);1H
InChIKeyBPGZISVMGVFFEB-UHFFFAOYSA-N
XLogP0.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613574
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
N,3,4-trimethyl-N-piperidin-4-yl-5-sulfamoylbenzamide
CID 119443970
3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 81476273
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550537
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
3-(cyclopentylsulfamoyl)-N,4-dimethyl-N-piperidin-4-ylbenzamide
CID 119442848
N,4-dimethyl-N-pyrrolidin-3-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride
CID 176731387
4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550546
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride?
The IUPAC name of N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride (CID 154750787) is N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride.
What is the SMILES notation for N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride?
The canonical SMILES for N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride is Cc1ccc(C(=O)N(C)C2CCNC2)cc1S(N)(=O)=O.Cl.
What is the InChIKey of N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride?
The InChIKey is BPGZISVMGVFFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S.ClH/c1-9-3-4-10(7-12(9)20(14,18)19)13(17)16(2)11-5-6-15-8-11;/h3-4,7,11,15H,5-6,8H2,1-2H3,(H2,14,18,19);1H.
What are the key properties of N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride?
N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride has a molecular weight of 333.84 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride is sourced from PubChem (CID 154750787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).