2-(diethylsulfamoylamino)-5-hydroxybenzoic acid

C11H16N2O5S — CID 61405743

IUPAC2-(diethylsulfamoylamino)-5-hydroxybenzoic acid
SMILESCCN(CC)S(=O)(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-3-13(4-2)19(17,18)12-10-6-5-8(14)7-9(10)11(15)16/h5-7,12,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyAEIUENCNOUOXOQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.09
Rot. Bonds6

About 2-(diethylsulfamoylamino)-5-hydroxybenzoic acid

2-(diethylsulfamoylamino)-5-hydroxybenzoic acid (PubChem CID 61405743) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)-5-hydroxybenzoic acid
PubChem CID61405743
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name2-(diethylsulfamoylamino)-5-hydroxybenzoic acid
SMILESCCN(CC)S(=O)(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-3-13(4-2)19(17,18)12-10-6-5-8(14)7-9(10)11(15)16/h5-7,12,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyAEIUENCNOUOXOQ-UHFFFAOYSA-N
XLogP1.09
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-(methanesulfonamido)benzoic acid
CID 61406346
3-bromo-2-(diethylsulfamoylamino)benzoic acid
CID 63112905
5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid
CID 114462428
2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-5-hydroxybenzoic acid
CID 61458893
2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid
CID 64987916
5-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79594362
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63956066
2-[2-(diethylsulfamoylamino)phenyl]acetic acid
CID 62535925
5-bromo-2-(dimethylsulfamoylamino)benzoic acid
CID 55031300
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid
CID 62636191
2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61405932
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958

Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoylamino)-5-hydroxybenzoic acid?
The IUPAC name of 2-(diethylsulfamoylamino)-5-hydroxybenzoic acid (CID 61405743) is 2-(diethylsulfamoylamino)-5-hydroxybenzoic acid.
What is the SMILES notation for 2-(diethylsulfamoylamino)-5-hydroxybenzoic acid?
The canonical SMILES for 2-(diethylsulfamoylamino)-5-hydroxybenzoic acid is CCN(CC)S(=O)(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-(diethylsulfamoylamino)-5-hydroxybenzoic acid?
The InChIKey is AEIUENCNOUOXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-3-13(4-2)19(17,18)12-10-6-5-8(14)7-9(10)11(15)16/h5-7,12,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-(diethylsulfamoylamino)-5-hydroxybenzoic acid?
2-(diethylsulfamoylamino)-5-hydroxybenzoic acid has a molecular weight of 288.32 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)-5-hydroxybenzoic acid is sourced from PubChem (CID 61405743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).