3-bromo-5-(dipropylsulfamoyl)benzoic acid

C13H18BrNO4S — CID 129054506

IUPAC3-bromo-5-(dipropylsulfamoyl)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1cc(Br)cc(C(=O)O)c1
InChIInChI=1S/C13H18BrNO4S/c1-3-5-15(6-4-2)20(18,19)12-8-10(13(16)17)7-11(14)9-12/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyKKCLESLTRRVKKT-UHFFFAOYSA-N
MW364.26 g/mol
LogP2.96
Rot. Bonds7

About 3-bromo-5-(dipropylsulfamoyl)benzoic acid

3-bromo-5-(dipropylsulfamoyl)benzoic acid (PubChem CID 129054506) has the molecular formula C13H18BrNO4S and a molecular weight of 364.26 g/mol. Its IUPAC name is 3-bromo-5-(dipropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-bromo-5-(dipropylsulfamoyl)benzoic acid
PubChem CID129054506
Molecular FormulaC13H18BrNO4S
Molecular Weight364.26 g/mol
Exact Mass363.01
IUPAC Name3-bromo-5-(dipropylsulfamoyl)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1cc(Br)cc(C(=O)O)c1
InChIInChI=1S/C13H18BrNO4S/c1-3-5-15(6-4-2)20(18,19)12-8-10(13(16)17)7-11(14)9-12/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyKKCLESLTRRVKKT-UHFFFAOYSA-N
XLogP2.96
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(dipropylsulfamoyl)benzoic acid
CID 43216890
3-bromo-5-[ethyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 79567475
acridine;4-(dipropylsulfamoyl)benzoic acid
CID 139187519
4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
CID 60639771
benzaldehyde;4-(dipropylsulfamoyl)benzoic acid
CID 146382115
N,N-dipropylbenzenesulfonamide
CID 4053954
3-[2-(4-bromo-2-methylphenyl)acetyl]-N,N-dipropylbenzenesulfonamide
CID 162242000
4-(dipropylsulfamoyl)benzoic acid;styrene
CID 70464418
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
3-bromo-5-(1-fluoropropan-2-ylsulfamoyl)benzoic acid
CID 167951504
2-bromo-5-(dibutylsulfamoyl)benzoic acid
CID 20505984
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(dipropylsulfamoyl)benzoic acid?
The IUPAC name of 3-bromo-5-(dipropylsulfamoyl)benzoic acid (CID 129054506) is 3-bromo-5-(dipropylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-bromo-5-(dipropylsulfamoyl)benzoic acid?
The canonical SMILES for 3-bromo-5-(dipropylsulfamoyl)benzoic acid is CCCN(CCC)S(=O)(=O)c1cc(Br)cc(C(=O)O)c1.
What is the InChIKey of 3-bromo-5-(dipropylsulfamoyl)benzoic acid?
The InChIKey is KKCLESLTRRVKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4S/c1-3-5-15(6-4-2)20(18,19)12-8-10(13(16)17)7-11(14)9-12/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-5-(dipropylsulfamoyl)benzoic acid?
3-bromo-5-(dipropylsulfamoyl)benzoic acid has a molecular weight of 364.26 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(dipropylsulfamoyl)benzoic acid is sourced from PubChem (CID 129054506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).