5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid

C15H21ClN2O5S — CID 136531093

IUPAC5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid
SMILESCc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NC(C)CN1CCOCC1
InChIInChI=1S/C15H21ClN2O5S/c1-10(9-18-3-5-23-6-4-18)17-24(21,22)14-8-12(16)7-13(11(14)2)15(19)20/h7-8,10,17H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyXNNCNIXCFTTYRE-UHFFFAOYSA-N
MW376.86 g/mol
LogP1.35
Rot. Bonds6

About 5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid

5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid (PubChem CID 136531093) has the molecular formula C15H21ClN2O5S and a molecular weight of 376.86 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid
PubChem CID136531093
Molecular FormulaC15H21ClN2O5S
Molecular Weight376.86 g/mol
Exact Mass376.09
IUPAC Name5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid
SMILESCc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NC(C)CN1CCOCC1
InChIInChI=1S/C15H21ClN2O5S/c1-10(9-18-3-5-23-6-4-18)17-24(21,22)14-8-12(16)7-13(11(14)2)15(19)20/h7-8,10,17H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyXNNCNIXCFTTYRE-UHFFFAOYSA-N
XLogP1.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid (CID 136531093) is 5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid is Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NC(C)CN1CCOCC1.
What is the InChIKey of 5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid?
The InChIKey is XNNCNIXCFTTYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O5S/c1-10(9-18-3-5-23-6-4-18)17-24(21,22)14-8-12(16)7-13(11(14)2)15(19)20/h7-8,10,17H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid?
5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid has a molecular weight of 376.86 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 136531093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).