3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide

C15H22ClN3O4S — CID 120894025

IUPAC3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C15H22ClN3O4S/c1-18(2)15(20)12-6-11(16)7-13(14(12)23-3)24(21,22)19-5-4-10(8-17)9-19/h6-7,10H,4-5,8-9,17H2,1-3H3
InChIKeyKZPOSTVLTZRNBB-UHFFFAOYSA-N
MW375.88 g/mol
LogP1.02
Rot. Bonds5

About 3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide

3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide (PubChem CID 120894025) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is 3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide
PubChem CID120894025
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC Name3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C15H22ClN3O4S/c1-18(2)15(20)12-6-11(16)7-13(14(12)23-3)24(21,22)19-5-4-10(8-17)9-19/h6-7,10H,4-5,8-9,17H2,1-3H3
InChIKeyKZPOSTVLTZRNBB-UHFFFAOYSA-N
XLogP1.02
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide 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

3-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894234
5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
CID 120893957
3-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894221
5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride
CID 120893956
5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide
CID 120894308
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 120894133
5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide
CID 65387428
[1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972086
3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120893948
[1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971958
[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972005
3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894158

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide (CID 120894025) is 3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide is COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCC(CN)C1.
What is the InChIKey of 3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide?
The InChIKey is KZPOSTVLTZRNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4S/c1-18(2)15(20)12-6-11(16)7-13(14(12)23-3)24(21,22)19-5-4-10(8-17)9-19/h6-7,10H,4-5,8-9,17H2,1-3H3.
What are the key properties of 3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide?
3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide has a molecular weight of 375.88 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 120894025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).