N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide

C15H12F2N2O2S3 — CID 50839994

IUPACN-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide
SMILESCCSc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2s1
InChIInChI=1S/C15H12F2N2O2S3/c1-2-22-15-18-12-5-4-10(8-13(12)23-15)19-24(20,21)14-6-3-9(16)7-11(14)17/h3-8,19H,2H2,1H3
InChIKeyRUMWKUKWQOKHCY-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.49
Rot. Bonds5

About N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide

N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 50839994) has the molecular formula C15H12F2N2O2S3 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide
PubChem CID50839994
Molecular FormulaC15H12F2N2O2S3
Molecular Weight386.47 g/mol
Exact Mass386.00
IUPAC NameN-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide
SMILESCCSc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2s1
InChIInChI=1S/C15H12F2N2O2S3/c1-2-22-15-18-12-5-4-10(8-13(12)23-15)19-24(20,21)14-6-3-9(16)7-11(14)17/h3-8,19H,2H2,1H3
InChIKeyRUMWKUKWQOKHCY-UHFFFAOYSA-N
XLogP4.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylsulfonyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide
CID 50839999
N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 50840019
1-(3,5-difluorophenyl)-N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)methanesulfonamide
CID 50839709
2-ethylsulfanyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 142682269
3,5-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50840016
4-fluoro-N-(2-propan-2-ylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 83280704
N-(4-chloro-2-fluorophenyl)-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682266
1-(3,5-difluorophenyl)-N-(2-propylsulfanyl-1,3-benzothiazol-6-yl)methanesulfonamide
CID 71843124
3,5-difluoro-N-(2-propan-2-ylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50839950
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
3-fluoro-N-(2-propan-2-ylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50839876
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide (CID 50839994) is N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide is CCSc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2s1.
What is the InChIKey of N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is RUMWKUKWQOKHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2S3/c1-2-22-15-18-12-5-4-10(8-13(12)23-15)19-24(20,21)14-6-3-9(16)7-11(14)17/h3-8,19H,2H2,1H3.
What are the key properties of N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide?
N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 50839994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).