N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide

C18H20ClN3O3S — CID 3464249

IUPACN-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCN(Cc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C18H20ClN3O3S/c19-16-7-6-14(10-17(16)26(20,24)25)18(23)21-15-8-9-22(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,21,23)(H2,20,24,25)
InChIKeySOUNBLNPEBFSBG-UHFFFAOYSA-N
MW393.90 g/mol
LogP1.99
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide

N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide (PubChem CID 3464249) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide
PubChem CID3464249
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCN(Cc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C18H20ClN3O3S/c19-16-7-6-14(10-17(16)26(20,24)25)18(23)21-15-8-9-22(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,21,23)(H2,20,24,25)
InChIKeySOUNBLNPEBFSBG-UHFFFAOYSA-N
XLogP1.99
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide
CID 41202634
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
CID 94020513
N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide
CID 42907504
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003
N-(1-benzylpyrrolidin-3-yl)-3,4-dichloro-5-nitrobenzamide
CID 122176797
N-(1-benzylpiperidin-4-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 24981031
N-(1-benzylpyrrolidin-3-yl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 24513186
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide
CID 41013038

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide (CID 3464249) is N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NC2CCN(Cc3ccccc3)C2)ccc1Cl.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide?
The InChIKey is SOUNBLNPEBFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-16-7-6-14(10-17(16)26(20,24)25)18(23)21-15-8-9-22(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,21,23)(H2,20,24,25).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide?
N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide has a molecular weight of 393.90 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide is sourced from PubChem (CID 3464249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).