2-bromo-5-(dibutylsulfamoyl)benzoic acid

C15H22BrNO4S — CID 20505984

IUPAC2-bromo-5-(dibutylsulfamoyl)benzoic acid
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C15H22BrNO4S/c1-3-5-9-17(10-6-4-2)22(20,21)12-7-8-14(16)13(11-12)15(18)19/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyLGFQWCQZUMKUPO-UHFFFAOYSA-N
MW392.32 g/mol
LogP3.74
Rot. Bonds9

About 2-bromo-5-(dibutylsulfamoyl)benzoic acid

2-bromo-5-(dibutylsulfamoyl)benzoic acid (PubChem CID 20505984) has the molecular formula C15H22BrNO4S and a molecular weight of 392.32 g/mol. Its IUPAC name is 2-bromo-5-(dibutylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-bromo-5-(dibutylsulfamoyl)benzoic acid
PubChem CID20505984
Molecular FormulaC15H22BrNO4S
Molecular Weight392.32 g/mol
Exact Mass391.05
IUPAC Name2-bromo-5-(dibutylsulfamoyl)benzoic acid
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C15H22BrNO4S/c1-3-5-9-17(10-6-4-2)22(20,21)12-7-8-14(16)13(11-12)15(18)19/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyLGFQWCQZUMKUPO-UHFFFAOYSA-N
XLogP3.74
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(dipropylsulfamoyl)benzoic acid
CID 43216890
2-bromo-5-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271131
4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
CID 60707695
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
2-bromo-5-butylsulfonylbenzoic acid
CID 43140614
2-bromo-5-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63954323
2-bromo-5-[methyl(pentan-3-yl)sulfamoyl]benzoic acid
CID 43429131
2-bromo-5-(diethylsulfamoyl)benzoate
CID 3668554
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
2-bromo-5-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654962
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271847

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(dibutylsulfamoyl)benzoic acid?
The IUPAC name of 2-bromo-5-(dibutylsulfamoyl)benzoic acid (CID 20505984) is 2-bromo-5-(dibutylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-bromo-5-(dibutylsulfamoyl)benzoic acid?
The canonical SMILES for 2-bromo-5-(dibutylsulfamoyl)benzoic acid is CCCCN(CCCC)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-(dibutylsulfamoyl)benzoic acid?
The InChIKey is LGFQWCQZUMKUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO4S/c1-3-5-9-17(10-6-4-2)22(20,21)12-7-8-14(16)13(11-12)15(18)19/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-5-(dibutylsulfamoyl)benzoic acid?
2-bromo-5-(dibutylsulfamoyl)benzoic acid has a molecular weight of 392.32 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(dibutylsulfamoyl)benzoic acid is sourced from PubChem (CID 20505984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).