4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

C11H7ClN2O2S3 — CID 11551670

IUPAC4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(-c2nc3ccc(Cl)cc3s2)cs1
InChIInChI=1S/C11H7ClN2O2S3/c12-7-1-2-8-9(4-7)18-11(14-8)6-3-10(17-5-6)19(13,15)16/h1-5H,(H2,13,15,16)
InChIKeyJVDVYWTYPYGQRD-UHFFFAOYSA-N
MW330.84 g/mol
LogP3.33
Rot. Bonds2

About 4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 11551670) has the molecular formula C11H7ClN2O2S3 and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
PubChem CID11551670
Molecular FormulaC11H7ClN2O2S3
Molecular Weight330.84 g/mol
Exact Mass329.94
IUPAC Name4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(-c2nc3ccc(Cl)cc3s2)cs1
InChIInChI=1S/C11H7ClN2O2S3/c12-7-1-2-8-9(4-7)18-11(14-8)6-3-10(17-5-6)19(13,15)16/h1-5H,(H2,13,15,16)
InChIKeyJVDVYWTYPYGQRD-UHFFFAOYSA-N
XLogP3.33
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (CID 11551670) is 4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is NS(=O)(=O)c1cc(-c2nc3ccc(Cl)cc3s2)cs1.
What is the InChIKey of 4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is JVDVYWTYPYGQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2S3/c12-7-1-2-8-9(4-7)18-11(14-8)6-3-10(17-5-6)19(13,15)16/h1-5H,(H2,13,15,16).
What are the key properties of 4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 330.84 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 11551670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).