4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride

C13H22ClN3O4S — CID 119432718

IUPAC4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
SMILESCNCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1.Cl
InChIInChI=1S/C13H21N3O4S.ClH/c1-14-7-4-8-16-13(17)10-5-6-11(20-3)12(9-10)21(18,19)15-2;/h5-6,9,14-15H,4,7-8H2,1-3H3,(H,16,17);1H
InChIKeyXPYZYKSBFKUMNN-UHFFFAOYSA-N
MW351.86 g/mol
LogP0.36
Rot. Bonds8

About 4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride

4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride (PubChem CID 119432718) has the molecular formula C13H22ClN3O4S and a molecular weight of 351.86 g/mol. Its IUPAC name is 4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
PubChem CID119432718
Molecular FormulaC13H22ClN3O4S
Molecular Weight351.86 g/mol
Exact Mass351.10
IUPAC Name4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
SMILESCNCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1.Cl
InChIInChI=1S/C13H21N3O4S.ClH/c1-14-7-4-8-16-13(17)10-5-6-11(20-3)12(9-10)21(18,19)15-2;/h5-6,9,14-15H,4,7-8H2,1-3H3,(H,16,17);1H
InChIKeyXPYZYKSBFKUMNN-UHFFFAOYSA-N
XLogP0.36
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18105723
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
CID 35812177
N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55975758
N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 27514427
N-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373535

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride (CID 119432718) is 4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride is CNCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1.Cl.
What is the InChIKey of 4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride?
The InChIKey is XPYZYKSBFKUMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S.ClH/c1-14-7-4-8-16-13(17)10-5-6-11(20-3)12(9-10)21(18,19)15-2;/h5-6,9,14-15H,4,7-8H2,1-3H3,(H,16,17);1H.
What are the key properties of 4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride?
4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride has a molecular weight of 351.86 g/mol, XLogP of 0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119432718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).