3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride

C12H19Cl2N3O4S — CID 120893948

IUPAC3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCCN.Cl
InChIInChI=1S/C12H18ClN3O4S.ClH/c1-16(2)12(17)9-6-8(13)7-10(11(9)20-3)21(18,19)15-5-4-14;/h6-7,15H,4-5,14H2,1-3H3;1H
InChIKeyCJBXSJFTTGTEDW-UHFFFAOYSA-N
MW372.27 g/mol
LogP0.71
Rot. Bonds6

About 3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride

3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride (PubChem CID 120893948) has the molecular formula C12H19Cl2N3O4S and a molecular weight of 372.27 g/mol. Its IUPAC name is 3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
PubChem CID120893948
Molecular FormulaC12H19Cl2N3O4S
Molecular Weight372.27 g/mol
Exact Mass371.05
IUPAC Name3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCCN.Cl
InChIInChI=1S/C12H18ClN3O4S.ClH/c1-16(2)12(17)9-6-8(13)7-10(11(9)20-3)21(18,19)15-5-4-14;/h6-7,15H,4-5,14H2,1-3H3;1H
InChIKeyCJBXSJFTTGTEDW-UHFFFAOYSA-N
XLogP0.71
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide
CID 120894029
3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894173
3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894158
5-chloro-2-methoxy-3-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43525936
5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide
CID 120893997
3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894182
3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894025
5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride
CID 120893956
3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
CID 110758543
3-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894221
5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
CID 43510552
5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
CID 120893957

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride (CID 120893948) is 3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride is COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCCN.Cl.
What is the InChIKey of 3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is CJBXSJFTTGTEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O4S.ClH/c1-16(2)12(17)9-6-8(13)7-10(11(9)20-3)21(18,19)15-5-4-14;/h6-7,15H,4-5,14H2,1-3H3;1H.
What are the key properties of 3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride?
3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 372.27 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120893948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).