N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide

C15H13FN2O3S2 — CID 40891770

IUPACN-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=c2sc3cc(F)ccc3n2C)cc1
InChIInChI=1S/C15H13FN2O3S2/c1-18-13-8-3-10(16)9-14(13)22-15(18)17-23(19,20)12-6-4-11(21-2)5-7-12/h3-9H,1-2H3
InChIKeyYBGSQXPQJGNAQX-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.68
Rot. Bonds3

About N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide

N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide (PubChem CID 40891770) has the molecular formula C15H13FN2O3S2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
PubChem CID40891770
Molecular FormulaC15H13FN2O3S2
Molecular Weight352.41 g/mol
Exact Mass352.04
IUPAC NameN-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=c2sc3cc(F)ccc3n2C)cc1
InChIInChI=1S/C15H13FN2O3S2/c1-18-13-8-3-10(16)9-14(13)22-15(18)17-23(19,20)12-6-4-11(21-2)5-7-12/h3-9H,1-2H3
InChIKeyYBGSQXPQJGNAQX-UHFFFAOYSA-N
XLogP2.68
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine
CID 838384
N-(2-methoxyphenyl)-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)amine
CID 838385
N-(3-(difluoromethyl)-6-ethoxy-1,3-benzothiazol-2(3H)-ylidene)-4-methoxybenzenesulfonamide
CID 9617853
(E)-2-((4-fluorophenyl)sulfonyl)-N-(6-methoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 18573262
3-(3-Methylsulfonylpropyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
CID 10760590
3-(2-Methylsulfonylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
CID 20061601
7-Methoxy-2,3-dihydro-[1,2,4]thiadiazino[3,2-b][1,3]benzothiazole 1,1-dioxide
CID 2315991
2-[2-Imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide
CID 3076380
2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide
CID 10689538
2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N,N-dimethylethanesulfonamide
CID 10714135
(E)-N-(6-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-1-((4-methoxyphenyl)sulfonyl)pyrrolidine-2-carboxamide
CID 16924554
(E)-N-(4,6-difluoro-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-2-((4-methoxyphenyl)sulfonyl)acetamide
CID 18586199

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide (CID 40891770) is N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N=c2sc3cc(F)ccc3n2C)cc1.
What is the InChIKey of N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The InChIKey is YBGSQXPQJGNAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S2/c1-18-13-8-3-10(16)9-14(13)22-15(18)17-23(19,20)12-6-4-11(21-2)5-7-12/h3-9H,1-2H3.
What are the key properties of N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide has a molecular weight of 352.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 40891770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).