2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid

C12H17BrN2O4S — CID 115296004

IUPAC2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid
SMILESCCCCN(C)S(=O)(=O)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C12H17BrN2O4S/c1-3-4-7-15(2)20(18,19)14-9-5-6-11(13)10(8-9)12(16)17/h5-6,8,14H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyZVUIPGOZNSYDDE-UHFFFAOYSA-N
MW365.25 g/mol
LogP2.54
Rot. Bonds7

About 2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid

2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid (PubChem CID 115296004) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid
PubChem CID115296004
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid
SMILESCCCCN(C)S(=O)(=O)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C12H17BrN2O4S/c1-3-4-7-15(2)20(18,19)14-9-5-6-11(13)10(8-9)12(16)17/h5-6,8,14H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyZVUIPGOZNSYDDE-UHFFFAOYSA-N
XLogP2.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-2-[[butyl(methyl)sulfamoyl]amino]benzoic acid
CID 63111857
2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263
2-bromo-5-(dibutylsulfamoyl)benzoic acid
CID 20505984
2-bromo-5-(pentanoylamino)benzoic acid
CID 115295715
2-bromo-5-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271131
1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene
CID 54898316
2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene
CID 114134965
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid
CID 61058722
1-bromo-4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-fluorobenzene
CID 106067142
2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid
CID 107339728
2-bromo-5-(butylcarbamoylamino)benzoic acid
CID 115295946

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid?
The IUPAC name of 2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid (CID 115296004) is 2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid?
The canonical SMILES for 2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid is CCCCN(C)S(=O)(=O)Nc1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid?
The InChIKey is ZVUIPGOZNSYDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-3-4-7-15(2)20(18,19)14-9-5-6-11(13)10(8-9)12(16)17/h5-6,8,14H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid?
2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid has a molecular weight of 365.25 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid is sourced from PubChem (CID 115296004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).