(NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide

C14H10ClFN2O2S2 — CID 16937804

IUPAC(NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCn1/c(=N/S(=O)(=O)c2ccc(F)cc2)sc2cccc(Cl)c21
InChIInChI=1S/C14H10ClFN2O2S2/c1-18-13-11(15)3-2-4-12(13)21-14(18)17-22(19,20)10-7-5-9(16)6-8-10/h2-8H,1H3/b17-14-
InChIKeyMYVBIOZXROSWES-VKAVYKQESA-N
MW356.83 g/mol
LogP3.32
Rot. Bonds2

About (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide

(NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide (PubChem CID 16937804) has the molecular formula C14H10ClFN2O2S2 and a molecular weight of 356.83 g/mol. Its IUPAC name is (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
PubChem CID16937804
Molecular FormulaC14H10ClFN2O2S2
Molecular Weight356.83 g/mol
Exact Mass355.99
IUPAC Name(NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCn1/c(=N/S(=O)(=O)c2ccc(F)cc2)sc2cccc(Cl)c21
InChIInChI=1S/C14H10ClFN2O2S2/c1-18-13-11(15)3-2-4-12(13)21-14(18)17-22(19,20)10-7-5-9(16)6-8-10/h2-8H,1H3/b17-14-
InChIKeyMYVBIOZXROSWES-VKAVYKQESA-N
XLogP3.32
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40892129
(NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936970
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937518
(NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936965
N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891793
4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 40892178
(NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937383
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide
CID 16938352
N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863067
N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CID 3369020
4-chloro-N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40892068
(NZ)-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 16937296

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
The IUPAC name of (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide (CID 16937804) is (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
The canonical SMILES for (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide is Cn1/c(=N/S(=O)(=O)c2ccc(F)cc2)sc2cccc(Cl)c21.
What is the InChIKey of (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
The InChIKey is MYVBIOZXROSWES-VKAVYKQESA-N. The full InChI is InChI=1S/C14H10ClFN2O2S2/c1-18-13-11(15)3-2-4-12(13)21-14(18)17-22(19,20)10-7-5-9(16)6-8-10/h2-8H,1H3/b17-14-.
What are the key properties of (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
(NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide has a molecular weight of 356.83 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 16937804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).