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

C11H10N2O4S2 — CID 65348399

IUPAC2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NS(=O)(=O)C3CC3)sc2c1
InChIInChI=1S/C11H10N2O4S2/c14-10(15)6-1-4-8-9(5-6)18-11(12-8)13-19(16,17)7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)(H,14,15)
InChIKeyNJGJOSQYVZSLAF-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.90
Rot. Bonds4

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

2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid (PubChem CID 65348399) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid
PubChem CID65348399
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(NS(=O)(=O)C3CC3)sc2c1
InChIInChI=1S/C11H10N2O4S2/c14-10(15)6-1-4-8-9(5-6)18-11(12-8)13-19(16,17)7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)(H,14,15)
InChIKeyNJGJOSQYVZSLAF-UHFFFAOYSA-N
XLogP1.90
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide
CID 108782575
2-(ethylsulfamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 114806422
2-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
2-[[(2S)-oxolane-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 104855773
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
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
2-(benzylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82549782
2-(2,3-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348581
4-[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 108782581
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763
2-acetyl-1,3-benzothiazole-6-carboxylic acid
CID 83383444

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid (CID 65348399) is 2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid is O=C(O)c1ccc2nc(NS(=O)(=O)C3CC3)sc2c1.
What is the InChIKey of 2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is NJGJOSQYVZSLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c14-10(15)6-1-4-8-9(5-6)18-11(12-8)13-19(16,17)7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)(H,14,15).
What are the key properties of 2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid?
2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonylamino)-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 65348399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).