4-chloro-3-(dipropylsulfamoyl)benzoic acid

C13H18ClNO4S — CID 4080766

IUPAC4-chloro-3-(dipropylsulfamoyl)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-3-7-15(8-4-2)20(18,19)12-9-10(13(16)17)5-6-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyACDUZLVOHMATPU-UHFFFAOYSA-N
MW319.81 g/mol
LogP2.85
Rot. Bonds7

About 4-chloro-3-(dipropylsulfamoyl)benzoic acid

4-chloro-3-(dipropylsulfamoyl)benzoic acid (PubChem CID 4080766) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is 4-chloro-3-(dipropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(dipropylsulfamoyl)benzoic acid
PubChem CID4080766
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name4-chloro-3-(dipropylsulfamoyl)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-3-7-15(8-4-2)20(18,19)12-9-10(13(16)17)5-6-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyACDUZLVOHMATPU-UHFFFAOYSA-N
XLogP2.85
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dipropylsulfamoyl)benzoic acid?
The IUPAC name of 4-chloro-3-(dipropylsulfamoyl)benzoic acid (CID 4080766) is 4-chloro-3-(dipropylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-chloro-3-(dipropylsulfamoyl)benzoic acid?
The canonical SMILES for 4-chloro-3-(dipropylsulfamoyl)benzoic acid is CCCN(CCC)S(=O)(=O)c1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(dipropylsulfamoyl)benzoic acid?
The InChIKey is ACDUZLVOHMATPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-3-7-15(8-4-2)20(18,19)12-9-10(13(16)17)5-6-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-3-(dipropylsulfamoyl)benzoic acid?
4-chloro-3-(dipropylsulfamoyl)benzoic acid has a molecular weight of 319.81 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dipropylsulfamoyl)benzoic acid is sourced from PubChem (CID 4080766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).