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

C14H10F2N2O2S2 — CID 40892129

IUPAC4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCn1c(=NS(=O)(=O)c2ccc(F)cc2)sc2cc(F)ccc21
InChIInChI=1S/C14H10F2N2O2S2/c1-18-12-7-4-10(16)8-13(12)21-14(18)17-22(19,20)11-5-2-9(15)3-6-11/h2-8H,1H3
InChIKeyGKPSMZKDJVUDBU-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.81
Rot. Bonds2

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

4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (PubChem CID 40892129) has the molecular formula C14H10F2N2O2S2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
PubChem CID40892129
Molecular FormulaC14H10F2N2O2S2
Molecular Weight340.38 g/mol
Exact Mass340.02
IUPAC Name4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCn1c(=NS(=O)(=O)c2ccc(F)cc2)sc2cc(F)ccc21
InChIInChI=1S/C14H10F2N2O2S2/c1-18-12-7-4-10(16)8-13(12)21-14(18)17-22(19,20)11-5-2-9(15)3-6-11/h2-8H,1H3
InChIKeyGKPSMZKDJVUDBU-UHFFFAOYSA-N
XLogP2.81
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937128
(NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide
CID 16937597
(NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936963
(NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 16937804
4-fluoro-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 40892187
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891914
N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 40892134
(NZ)-4-fluoro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937972
(NZ)-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937492
(NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 16937802
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849398
4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide
CID 40849610

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (CID 40892129) is 4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is Cn1c(=NS(=O)(=O)c2ccc(F)cc2)sc2cc(F)ccc21.
What is the InChIKey of 4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The InChIKey is GKPSMZKDJVUDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2S2/c1-18-12-7-4-10(16)8-13(12)21-14(18)17-22(19,20)11-5-2-9(15)3-6-11/h2-8H,1H3.
What are the key properties of 4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide has a molecular weight of 340.38 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 40892129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).