N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride

C12H20ClN3O4S — CID 119383906

IUPACN-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCN)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C12H19N3O4S.ClH/c1-15(2)20(17,18)11-8-9(4-5-10(11)19-3)12(16)14-7-6-13;/h4-5,8H,6-7,13H2,1-3H3,(H,14,16);1H
InChIKeyNPCOTUCNOYCTOG-UHFFFAOYSA-N
MW337.83 g/mol
LogP0.06
Rot. Bonds6

About N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride

N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride (PubChem CID 119383906) has the molecular formula C12H20ClN3O4S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
PubChem CID119383906
Molecular FormulaC12H20ClN3O4S
Molecular Weight337.83 g/mol
Exact Mass337.09
IUPAC NameN-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCN)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C12H19N3O4S.ClH/c1-15(2)20(17,18)11-8-9(4-5-10(11)19-3)12(16)14-7-6-13;/h4-5,8H,6-7,13H2,1-3H3,(H,14,16);1H
InChIKeyNPCOTUCNOYCTOG-UHFFFAOYSA-N
XLogP0.06
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55396010
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24552489
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide
CID 120650659
3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512431
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51948819
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride (CID 119383906) is N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride is COc1ccc(C(=O)NCCN)cc1S(=O)(=O)N(C)C.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride?
The InChIKey is NPCOTUCNOYCTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S.ClH/c1-15(2)20(17,18)11-8-9(4-5-10(11)19-3)12(16)14-7-6-13;/h4-5,8H,6-7,13H2,1-3H3,(H,14,16);1H.
What are the key properties of N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride?
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119383906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).