2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide

C13H19ClN2O3S — CID 46665691

IUPAC2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)NC)ccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-3-4-5-8-16-13(17)11-9-10(6-7-12(11)14)20(18,19)15-2/h6-7,9,15H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyWEQLNXZYQFVAPZ-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.17
Rot. Bonds7

About 2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide

2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide (PubChem CID 46665691) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
PubChem CID46665691
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)NC)ccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-3-4-5-8-16-13(17)11-9-10(6-7-12(11)14)20(18,19)15-2/h6-7,9,15H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyWEQLNXZYQFVAPZ-UHFFFAOYSA-N
XLogP2.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
CID 51165018
2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide
CID 38856928
N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
CID 38196368
4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
CID 51166063
2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide
CID 9442250
2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55945095
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide
CID 27659841
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
4-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 18279871
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-chloro-5-(methylsulfamoyl)benzamide
CID 55492533

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide?
The IUPAC name of 2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide (CID 46665691) is 2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide.
What is the SMILES notation for 2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide?
The canonical SMILES for 2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide is CCCCCNC(=O)c1cc(S(=O)(=O)NC)ccc1Cl.
What is the InChIKey of 2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide?
The InChIKey is WEQLNXZYQFVAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-3-4-5-8-16-13(17)11-9-10(6-7-12(11)14)20(18,19)15-2/h6-7,9,15H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide?
2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide has a molecular weight of 318.83 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide is sourced from PubChem (CID 46665691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).