3-bromo-2-(diethylsulfamoylamino)benzoic acid

C11H15BrN2O4S — CID 63112905

IUPAC3-bromo-2-(diethylsulfamoylamino)benzoic acid
SMILESCCN(CC)S(=O)(=O)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C11H15BrN2O4S/c1-3-14(4-2)19(17,18)13-10-8(11(15)16)6-5-7-9(10)12/h5-7,13H,3-4H2,1-2H3,(H,15,16)
InChIKeyNXEWRGGBBWIGMM-UHFFFAOYSA-N
MW351.22 g/mol
LogP2.15
Rot. Bonds6

About 3-bromo-2-(diethylsulfamoylamino)benzoic acid

3-bromo-2-(diethylsulfamoylamino)benzoic acid (PubChem CID 63112905) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is 3-bromo-2-(diethylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name3-bromo-2-(diethylsulfamoylamino)benzoic acid
PubChem CID63112905
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC Name3-bromo-2-(diethylsulfamoylamino)benzoic acid
SMILESCCN(CC)S(=O)(=O)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C11H15BrN2O4S/c1-3-14(4-2)19(17,18)13-10-8(11(15)16)6-5-7-9(10)12/h5-7,13H,3-4H2,1-2H3,(H,15,16)
InChIKeyNXEWRGGBBWIGMM-UHFFFAOYSA-N
XLogP2.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylsulfamoylamino)-5-hydroxybenzoic acid
CID 61405743
3-bromo-2-[[butyl(ethyl)carbamoyl]amino]benzoic acid
CID 63113130
3-bromo-2-[[methyl(propyl)carbamoyl]amino]benzoic acid
CID 63113132
3-bromo-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 63113630
3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 63113303
3-bromo-2-(hexanoylamino)benzoic acid
CID 63112965
3-bromo-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 63113612
3-bromo-2-(nonanoylamino)benzoic acid
CID 63405626
3-bromo-2-(3-methylsulfonylpropylcarbamoylamino)benzoic acid
CID 63113661
2-[2-(diethylsulfamoylamino)phenyl]acetic acid
CID 62535925
3-bromo-2-[(2-phenylacetyl)amino]benzoic acid
CID 63112938
N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide
CID 169370890

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(diethylsulfamoylamino)benzoic acid?
The IUPAC name of 3-bromo-2-(diethylsulfamoylamino)benzoic acid (CID 63112905) is 3-bromo-2-(diethylsulfamoylamino)benzoic acid.
What is the SMILES notation for 3-bromo-2-(diethylsulfamoylamino)benzoic acid?
The canonical SMILES for 3-bromo-2-(diethylsulfamoylamino)benzoic acid is CCN(CC)S(=O)(=O)Nc1c(Br)cccc1C(=O)O.
What is the InChIKey of 3-bromo-2-(diethylsulfamoylamino)benzoic acid?
The InChIKey is NXEWRGGBBWIGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S/c1-3-14(4-2)19(17,18)13-10-8(11(15)16)6-5-7-9(10)12/h5-7,13H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-2-(diethylsulfamoylamino)benzoic acid?
3-bromo-2-(diethylsulfamoylamino)benzoic acid has a molecular weight of 351.22 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(diethylsulfamoylamino)benzoic acid is sourced from PubChem (CID 63112905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).