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

C15H13FN2O3S2 — CID 16937380

IUPAC(NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=c2\sc3cc(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/b17-15-
InChIKeyYBGSQXPQJGNAQX-ICFOKQHNSA-N
MW352.41 g/mol
LogP2.68
Rot. Bonds3

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

(NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide (PubChem CID 16937380) has the molecular formula C15H13FN2O3S2 and a molecular weight of 352.41 g/mol. Its IUPAC name is (NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
PubChem CID16937380
Molecular FormulaC15H13FN2O3S2
Molecular Weight352.41 g/mol
Exact Mass352.04
IUPAC Name(NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=c2\sc3cc(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/b17-15-
InChIKeyYBGSQXPQJGNAQX-ICFOKQHNSA-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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The IUPAC name of (NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide (CID 16937380) is (NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The canonical SMILES for (NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)/N=c2\sc3cc(F)ccc3n2C)cc1.
What is the InChIKey of (NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The InChIKey is YBGSQXPQJGNAQX-ICFOKQHNSA-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/b17-15-.
What are the key properties of (NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
(NZ)-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 (NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 16937380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).