N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide

C17H18ClN3O4S — CID 38196368

IUPACN-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCNC(=O)c2ccccc2)c1
InChIInChI=1S/C17H18ClN3O4S/c1-19-26(24,25)13-7-8-15(18)14(11-13)17(23)21-10-9-20-16(22)12-5-3-2-4-6-12/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyWGJXUINRGNHOTG-UHFFFAOYSA-N
MW395.87 g/mol
LogP1.41
Rot. Bonds7

About N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide

N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide (PubChem CID 38196368) has the molecular formula C17H18ClN3O4S and a molecular weight of 395.87 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
PubChem CID38196368
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87 g/mol
Exact Mass395.07
IUPAC NameN-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCNC(=O)c2ccccc2)c1
InChIInChI=1S/C17H18ClN3O4S/c1-19-26(24,25)13-7-8-15(18)14(11-13)17(23)21-10-9-20-16(22)12-5-3-2-4-6-12/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyWGJXUINRGNHOTG-UHFFFAOYSA-N
XLogP1.41
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
CID 46665691
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24660007
2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55945095
2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
CID 51165018
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154
2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide
CID 9442250
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-5-(methylsulfamoyl)benzamide
CID 55729345
2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide
CID 56523646
2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide
CID 38856928
4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9442420
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-chloro-5-(methylsulfamoyl)benzamide
CID 55492533

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide (CID 38196368) is N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCNC(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide?
The InChIKey is WGJXUINRGNHOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4S/c1-19-26(24,25)13-7-8-15(18)14(11-13)17(23)21-10-9-20-16(22)12-5-3-2-4-6-12/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide?
N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide has a molecular weight of 395.87 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 38196368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).