2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride

C12H20ClN3O4S — CID 120828882

IUPAC2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1OC.Cl
InChIInChI=1S/C12H19N3O4S.ClH/c1-8(14-2)7-15-12(16)10-6-9(20(13,17)18)4-5-11(10)19-3;/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18);1H
InChIKeyJKAMJQCHFAHBJR-UHFFFAOYSA-N
MW337.83 g/mol
LogP0.10
Rot. Bonds6

About 2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride

2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride (PubChem CID 120828882) has the molecular formula C12H20ClN3O4S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride
PubChem CID120828882
Molecular FormulaC12H20ClN3O4S
Molecular Weight337.83 g/mol
Exact Mass337.09
IUPAC Name2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1OC.Cl
InChIInChI=1S/C12H19N3O4S.ClH/c1-8(14-2)7-15-12(16)10-6-9(20(13,17)18)4-5-11(10)19-3;/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18);1H
InChIKeyJKAMJQCHFAHBJR-UHFFFAOYSA-N
XLogP0.10
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide
CID 115591271
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 43019463
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide
CID 38280263
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 25494157
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 31233255
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride?
The IUPAC name of 2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride (CID 120828882) is 2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride.
What is the SMILES notation for 2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride?
The canonical SMILES for 2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride is CNC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1OC.Cl.
What is the InChIKey of 2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride?
The InChIKey is JKAMJQCHFAHBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S.ClH/c1-8(14-2)7-15-12(16)10-6-9(20(13,17)18)4-5-11(10)19-3;/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18);1H.
What are the key properties of 2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride?
2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride is sourced from PubChem (CID 120828882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).