2,4-dibromo-5-(diethylsulfamoyl)benzoic acid

C11H13Br2NO4S — CID 20506124

IUPAC2,4-dibromo-5-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)O)c(Br)cc1Br
InChIInChI=1S/C11H13Br2NO4S/c1-3-14(4-2)19(17,18)10-5-7(11(15)16)8(12)6-9(10)13/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyLSOXWAFTDBZDKC-UHFFFAOYSA-N
MW415.10 g/mol
LogP2.94
Rot. Bonds5

About 2,4-dibromo-5-(diethylsulfamoyl)benzoic acid

2,4-dibromo-5-(diethylsulfamoyl)benzoic acid (PubChem CID 20506124) has the molecular formula C11H13Br2NO4S and a molecular weight of 415.10 g/mol. Its IUPAC name is 2,4-dibromo-5-(diethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dibromo-5-(diethylsulfamoyl)benzoic acid
PubChem CID20506124
Molecular FormulaC11H13Br2NO4S
Molecular Weight415.10 g/mol
Exact Mass412.89
IUPAC Name2,4-dibromo-5-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)O)c(Br)cc1Br
InChIInChI=1S/C11H13Br2NO4S/c1-3-14(4-2)19(17,18)10-5-7(11(15)16)8(12)6-9(10)13/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyLSOXWAFTDBZDKC-UHFFFAOYSA-N
XLogP2.94
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.10
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide
CID 50876814
2,4-dibromo-5-fluorosulfonylbenzoic acid
CID 122236081
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
4-chloro-2-(diethylamino)-5-(diethylsulfamoyl)benzoic acid
CID 50739456
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
2-bromo-5-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63954323
3-bromo-5-[ethyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 79567475
2-bromo-5-(dipropylsulfamoyl)benzoic acid
CID 43216890
2-bromo-5-(dibutylsulfamoyl)benzoic acid
CID 20505984
4-bromo-3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 79378929
3-bromo-5-[ethyl(propan-2-yl)sulfamoyl]-2-methylbenzoic acid
CID 79567345
4-(diethylsulfamoyl)-2-hydroxybenzoic acid
CID 23009711

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-(diethylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dibromo-5-(diethylsulfamoyl)benzoic acid (CID 20506124) is 2,4-dibromo-5-(diethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dibromo-5-(diethylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dibromo-5-(diethylsulfamoyl)benzoic acid is CCN(CC)S(=O)(=O)c1cc(C(=O)O)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-(diethylsulfamoyl)benzoic acid?
The InChIKey is LSOXWAFTDBZDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO4S/c1-3-14(4-2)19(17,18)10-5-7(11(15)16)8(12)6-9(10)13/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dibromo-5-(diethylsulfamoyl)benzoic acid?
2,4-dibromo-5-(diethylsulfamoyl)benzoic acid has a molecular weight of 415.10 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-(diethylsulfamoyl)benzoic acid is sourced from PubChem (CID 20506124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).