6-chloro-1,3-benzothiazole-2-sulfonamide

C7H5ClN2O2S2 — CID 14327412

IUPAC6-chloro-1,3-benzothiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C7H5ClN2O2S2/c8-4-1-2-5-6(3-4)13-7(10-5)14(9,11)12/h1-3H,(H2,9,11,12)
InChIKeyMTRQAFDRNFNIHE-UHFFFAOYSA-N
MW248.72 g/mol
LogP1.60
Rot. Bonds1

About 6-chloro-1,3-benzothiazole-2-sulfonamide

6-chloro-1,3-benzothiazole-2-sulfonamide (PubChem CID 14327412) has the molecular formula C7H5ClN2O2S2 and a molecular weight of 248.72 g/mol. Its IUPAC name is 6-chloro-1,3-benzothiazole-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-1,3-benzothiazole-2-sulfonamide
PubChem CID14327412
Molecular FormulaC7H5ClN2O2S2
Molecular Weight248.72 g/mol
Exact Mass247.95
IUPAC Name6-chloro-1,3-benzothiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C7H5ClN2O2S2/c8-4-1-2-5-6(3-4)13-7(10-5)14(9,11)12/h1-3H,(H2,9,11,12)
InChIKeyMTRQAFDRNFNIHE-UHFFFAOYSA-N
XLogP1.60
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-benzothiazolamine
CID 7226
2-Benzothiazolesulfonamide
CID 67944
Benzothiazole-2-sulfonic acid
CID 30647
2-(Allylsulfonyl)benzothiazole
CID 701066
2-(Methylsulfonyl)benzothiazole
CID 242777
Aminozolamide
CID 93505
5-Chloro-2-(methylthio)benzothiazole
CID 645746
2,4-Dichlorobenzothiazole
CID 77177
2-(Ethanesulfonyl)-1,3-benzothiazole
CID 17428
2-(Methylsulfinyl)benzo[d]thiazole
CID 2824895
N-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 9116477
N-(benzo[d]thiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-benzothiazole-2-sulfonamide?
The IUPAC name of 6-chloro-1,3-benzothiazole-2-sulfonamide (CID 14327412) is 6-chloro-1,3-benzothiazole-2-sulfonamide.
What is the SMILES notation for 6-chloro-1,3-benzothiazole-2-sulfonamide?
The canonical SMILES for 6-chloro-1,3-benzothiazole-2-sulfonamide is NS(=O)(=O)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-1,3-benzothiazole-2-sulfonamide?
The InChIKey is MTRQAFDRNFNIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S2/c8-4-1-2-5-6(3-4)13-7(10-5)14(9,11)12/h1-3H,(H2,9,11,12).
What are the key properties of 6-chloro-1,3-benzothiazole-2-sulfonamide?
6-chloro-1,3-benzothiazole-2-sulfonamide has a molecular weight of 248.72 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-benzothiazole-2-sulfonamide is sourced from PubChem (CID 14327412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).