2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid

C10H11N3O4S2 — CID 114806422

IUPAC2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid
SMILESCCNS(=O)(=O)Nc1nc2ccc(C(=O)O)cc2s1
InChIInChI=1S/C10H11N3O4S2/c1-2-11-19(16,17)13-10-12-7-4-3-6(9(14)15)5-8(7)18-10/h3-5,11H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyXPSLYWMIDTVMCW-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.26
Rot. Bonds5

About 2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid

2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid (PubChem CID 114806422) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid
PubChem CID114806422
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid
SMILESCCNS(=O)(=O)Nc1nc2ccc(C(=O)O)cc2s1
InChIInChI=1S/C10H11N3O4S2/c1-2-11-19(16,17)13-10-12-7-4-3-6(9(14)15)5-8(7)18-10/h3-5,11H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyXPSLYWMIDTVMCW-UHFFFAOYSA-N
XLogP1.26
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348399
2-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
4-[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 108782581
4-methyl-3-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 71362240
2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 79154501
3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 7573756
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
2-(2,3-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348581
2-(benzylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82549782
2-(4-methylpentanoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348587
2-acetyl-1,3-benzothiazole-6-carboxylic acid
CID 83383444
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid (CID 114806422) is 2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid is CCNS(=O)(=O)Nc1nc2ccc(C(=O)O)cc2s1.
What is the InChIKey of 2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is XPSLYWMIDTVMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-2-11-19(16,17)13-10-12-7-4-3-6(9(14)15)5-8(7)18-10/h3-5,11H,2H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid?
2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 114806422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).