N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride

C20H26ClN3O3S — CID 119615381

IUPACN-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NC(CN)C3CC3)cc2)c1C.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-13-4-3-5-18(14(13)2)23-27(25,26)17-10-8-16(9-11-17)20(24)22-19(12-21)15-6-7-15;/h3-5,8-11,15,19,23H,6-7,12,21H2,1-2H3,(H,22,24);1H
InChIKeyDHLIOKGZPTVKPW-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.99
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119615381) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119615381
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NC(CN)C3CC3)cc2)c1C.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-13-4-3-5-18(14(13)2)23-27(25,26)17-10-8-16(9-11-17)20(24)22-19(12-21)15-6-7-15;/h3-5,8-11,15,19,23H,6-7,12,21H2,1-2H3,(H,22,24);1H
InChIKeyDHLIOKGZPTVKPW-UHFFFAOYSA-N
XLogP2.99
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
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CID 109060082

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride (CID 119615381) is N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC(CN)C3CC3)cc2)c1C.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is DHLIOKGZPTVKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-13-4-3-5-18(14(13)2)23-27(25,26)17-10-8-16(9-11-17)20(24)22-19(12-21)15-6-7-15;/h3-5,8-11,15,19,23H,6-7,12,21H2,1-2H3,(H,22,24);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119615381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).