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

C11H7ClN2O2S3 — CID 9116477

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1cccs1
InChIInChI=1S/C11H7ClN2O2S3/c12-7-3-4-8-9(6-7)18-11(13-8)14-19(15,16)10-2-1-5-17-10/h1-6H,(H,13,14)
InChIKeyRVILMXPQIYAOED-UHFFFAOYSA-N
MW330.84 g/mol
LogP3.81
Rot. Bonds3

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

N-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 9116477) has the molecular formula C11H7ClN2O2S3 and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
PubChem CID9116477
Molecular FormulaC11H7ClN2O2S3
Molecular Weight330.84 g/mol
Exact Mass329.94
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1cccs1
InChIInChI=1S/C11H7ClN2O2S3/c12-7-3-4-8-9(6-7)18-11(13-8)14-19(15,16)10-2-1-5-17-10/h1-6H,(H,13,14)
InChIKeyRVILMXPQIYAOED-UHFFFAOYSA-N
XLogP3.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (CID 9116477) is N-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1cccs1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is RVILMXPQIYAOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2S3/c12-7-3-4-8-9(6-7)18-11(13-8)14-19(15,16)10-2-1-5-17-10/h1-6H,(H,13,14).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
N-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 330.84 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 9116477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).