N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide

C17H17FN2O2S2 — CID 3847622

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2nc3ccc(F)cc3s2)c1C
InChIInChI=1S/C17H17FN2O2S2/c1-9-7-10(2)12(4)16(11(9)3)24(21,22)20-17-19-14-6-5-13(18)8-15(14)23-17/h5-8H,1-4H3,(H,19,20)
InChIKeyFEEMBQBLKJAVEN-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.47
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 3847622) has the molecular formula C17H17FN2O2S2 and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID3847622
Molecular FormulaC17H17FN2O2S2
Molecular Weight364.47 g/mol
Exact Mass364.07
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2nc3ccc(F)cc3s2)c1C
InChIInChI=1S/C17H17FN2O2S2/c1-9-7-10(2)12(4)16(11(9)3)24(21,22)20-17-19-14-6-5-13(18)8-15(14)23-17/h5-8H,1-4H3,(H,19,20)
InChIKeyFEEMBQBLKJAVEN-UHFFFAOYSA-N
XLogP4.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25048261
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144
4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934058
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 3764092
2,4,5-trimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 35764710
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552
N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 3256041
6-fluoro-N-(3-methylsulfonylpropyl)-1,3-benzothiazol-2-amine
CID 79143888
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
2,3,5,6-tetramethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201617
2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide
CID 60986077
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(methylsulfonylmethyl)benzamide
CID 8006451

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide (CID 3847622) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2nc3ccc(F)cc3s2)c1C.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is FEEMBQBLKJAVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S2/c1-9-7-10(2)12(4)16(11(9)3)24(21,22)20-17-19-14-6-5-13(18)8-15(14)23-17/h5-8H,1-4H3,(H,19,20).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 3847622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).