3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid

C13H14N2O4S — CID 28788057

IUPAC3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid
SMILESCN(C)S(=O)(=O)Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C13H14N2O4S/c1-15(2)20(18,19)14-12-8-10-6-4-3-5-9(10)7-11(12)13(16)17/h3-8,14H,1-2H3,(H,16,17)
InChIKeyZQWSRUOCRGNMKG-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.76
Rot. Bonds4

About 3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid

3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid (PubChem CID 28788057) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid
PubChem CID28788057
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid
SMILESCN(C)S(=O)(=O)Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C13H14N2O4S/c1-15(2)20(18,19)14-12-8-10-6-4-3-5-9(10)7-11(12)13(16)17/h3-8,14H,1-2H3,(H,16,17)
InChIKeyZQWSRUOCRGNMKG-UHFFFAOYSA-N
XLogP1.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylsulfonylamino)naphthalene-2-carboxylic acid
CID 63688592
5-bromo-2-(dimethylsulfamoylamino)benzoic acid
CID 55031300
1-acetyl-2-(dimethylsulfamoylamino)benzene
CID 28788463
3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16776827
3-[(4-cyanophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45475653
3-hydrazinylnaphthalene-2-carboxylic acid
CID 4738853
3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45478490
3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16778029
3-(methylcarbamoylamino)naphthalene-2-carboxylic acid
CID 61189207
3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid
CID 61195692
3-(dimethylsulfamoylamino)-4-methylbenzoic acid
CID 28788003
4-(dimethylsulfamoylamino)-3-methylbenzoic acid
CID 28787969

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid?
The IUPAC name of 3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid (CID 28788057) is 3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid is CN(C)S(=O)(=O)Nc1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid?
The InChIKey is ZQWSRUOCRGNMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-15(2)20(18,19)14-12-8-10-6-4-3-5-9(10)7-11(12)13(16)17/h3-8,14H,1-2H3,(H,16,17).
What are the key properties of 3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid?
3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid is sourced from PubChem (CID 28788057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).