(2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide

C12H13N3O4S2 — CID 734498

IUPAC(2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
SMILESNS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCO3)sc2c1
InChIInChI=1S/C12H13N3O4S2/c13-21(17,18)7-3-4-8-10(6-7)20-12(14-8)15-11(16)9-2-1-5-19-9/h3-4,6,9H,1-2,5H2,(H2,13,17,18)(H,14,15,16)/t9-/m1/s1
InChIKeyGBFDRMLWKKFWNA-SECBINFHSA-N
MW327.39 g/mol
LogP1.06
Rot. Bonds3

About (2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide

(2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide (PubChem CID 734498) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
PubChem CID734498
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC Name(2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
SMILESNS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCO3)sc2c1
InChIInChI=1S/C12H13N3O4S2/c13-21(17,18)7-3-4-8-10(6-7)20-12(14-8)15-11(16)9-2-1-5-19-9/h3-4,6,9H,1-2,5H2,(H2,13,17,18)(H,14,15,16)/t9-/m1/s1
InChIKeyGBFDRMLWKKFWNA-SECBINFHSA-N
XLogP1.06
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 7027208
N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 5084878
2-[[(2S)-oxolane-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 104855773
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 43937113
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]oxolane-2-carboxamide
CID 108740790
N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide
CID 175055623
4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 5151234
4-tert-butyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 4303636
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 2308187
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
CID 21175493
N-(6-amino-1,3-benzothiazol-2-yl)-1,4-dioxane-2-carboxamide
CID 62799366
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 4219162

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide (CID 734498) is (2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide is NS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCO3)sc2c1.
What is the InChIKey of (2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is GBFDRMLWKKFWNA-SECBINFHSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c13-21(17,18)7-3-4-8-10(6-7)20-12(14-8)15-11(16)9-2-1-5-19-9/h3-4,6,9H,1-2,5H2,(H2,13,17,18)(H,14,15,16)/t9-/m1/s1.
What are the key properties of (2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
(2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 734498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).