3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride

C13H21Cl2N3O4S — CID 120894158

IUPAC3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H](C)CN.Cl
InChIInChI=1S/C13H20ClN3O4S.ClH/c1-8(7-15)16-22(19,20)11-6-9(14)5-10(12(11)21-4)13(18)17(2)3;/h5-6,8,16H,7,15H2,1-4H3;1H/t8-;/m1./s1
InChIKeyPMBWDORXIBZMMW-DDWIOCJRSA-N
MW386.30 g/mol
LogP1.10
Rot. Bonds6

About 3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride

3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride (PubChem CID 120894158) has the molecular formula C13H21Cl2N3O4S and a molecular weight of 386.30 g/mol. Its IUPAC name is 3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
PubChem CID120894158
Molecular FormulaC13H21Cl2N3O4S
Molecular Weight386.30 g/mol
Exact Mass385.06
IUPAC Name3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H](C)CN.Cl
InChIInChI=1S/C13H20ClN3O4S.ClH/c1-8(7-15)16-22(19,20)11-6-9(14)5-10(12(11)21-4)13(18)17(2)3;/h5-6,8,16H,7,15H2,1-4H3;1H/t8-;/m1./s1
InChIKeyPMBWDORXIBZMMW-DDWIOCJRSA-N
XLogP1.10
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride with MolForge

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Related Compounds

3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120893948
3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894173
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide
CID 120894029
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120713181
3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894182
5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide
CID 120893997
2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 122068063
3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894025
3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 43502221
5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride
CID 120893956
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
CID 120893957

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride (CID 120894158) is 3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride is COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H](C)CN.Cl.
What is the InChIKey of 3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is PMBWDORXIBZMMW-DDWIOCJRSA-N. The full InChI is InChI=1S/C13H20ClN3O4S.ClH/c1-8(7-15)16-22(19,20)11-6-9(14)5-10(12(11)21-4)13(18)17(2)3;/h5-6,8,16H,7,15H2,1-4H3;1H/t8-;/m1./s1.
What are the key properties of 3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride?
3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 386.30 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120894158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).