5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

C11H6ClFN2O2S3 — CID 167944643

IUPAC5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2cc(F)ccc2s1)c1ccc(Cl)s1
InChIInChI=1S/C11H6ClFN2O2S3/c12-9-3-4-10(19-9)20(16,17)15-11-14-7-5-6(13)1-2-8(7)18-11/h1-5H,(H,14,15)
InChIKeyJEHWQVKOFYHDNB-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.95
Rot. Bonds3

About 5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 167944643) has the molecular formula C11H6ClFN2O2S3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
PubChem CID167944643
Molecular FormulaC11H6ClFN2O2S3
Molecular Weight348.83 g/mol
Exact Mass347.93
IUPAC Name5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2cc(F)ccc2s1)c1ccc(Cl)s1
InChIInChI=1S/C11H6ClFN2O2S3/c12-9-3-4-10(19-9)20(16,17)15-11-14-7-5-6(13)1-2-8(7)18-11/h1-5H,(H,14,15)
InChIKeyJEHWQVKOFYHDNB-UHFFFAOYSA-N
XLogP3.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 16934156
4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934058
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144
2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride
CID 162161137
2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide
CID 60986077
N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 20971871
1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(4-fluorophenyl)urea
CID 46394211
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide
CID 71914093
N-(5-bromo-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 129127454

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (CID 167944643) is 5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1nc2cc(F)ccc2s1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is JEHWQVKOFYHDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O2S3/c12-9-3-4-10(19-9)20(16,17)15-11-14-7-5-6(13)1-2-8(7)18-11/h1-5H,(H,14,15).
What are the key properties of 5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 348.83 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 167944643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).