N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride

C19H25ClN4O3S — CID 21430500

IUPACN-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride
SMILESCN1CCN(c2ccc(C(=O)NCc3ccccc3)cc2S(N)(=O)=O)CC1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-22-9-11-23(12-10-22)17-8-7-16(13-18(17)27(20,25)26)19(24)21-14-15-5-3-2-4-6-15;/h2-8,13H,9-12,14H2,1H3,(H,21,24)(H2,20,25,26);1H
InChIKeyNLBOLFKTLXOCOF-UHFFFAOYSA-N
MW424.95 g/mol
LogP1.44
Rot. Bonds5

About N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride

N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride (PubChem CID 21430500) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride
PubChem CID21430500
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC NameN-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride
SMILESCN1CCN(c2ccc(C(=O)NCc3ccccc3)cc2S(N)(=O)=O)CC1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-22-9-11-23(12-10-22)17-8-7-16(13-18(17)27(20,25)26)19(24)21-14-15-5-3-2-4-6-15;/h2-8,13H,9-12,14H2,1H3,(H,21,24)(H2,20,25,26);1H
InChIKeyNLBOLFKTLXOCOF-UHFFFAOYSA-N
XLogP1.44
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875478
N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 99967029
4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid
CID 21430463
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide
CID 57086415
4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 99967016
3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide
CID 99967054
N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
CID 46349179
4-chloro-N-[(3-methylphenyl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969266
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160452
N-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
CID 17493869

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride?
The IUPAC name of N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride (CID 21430500) is N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride.
What is the SMILES notation for N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride?
The canonical SMILES for N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride is CN1CCN(c2ccc(C(=O)NCc3ccccc3)cc2S(N)(=O)=O)CC1.Cl.
What is the InChIKey of N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride?
The InChIKey is NLBOLFKTLXOCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S.ClH/c1-22-9-11-23(12-10-22)17-8-7-16(13-18(17)27(20,25)26)19(24)21-14-15-5-3-2-4-6-15;/h2-8,13H,9-12,14H2,1H3,(H,21,24)(H2,20,25,26);1H.
What are the key properties of N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride?
N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride is sourced from PubChem (CID 21430500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).