(NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide

C15H12Cl2N2O2S2 — CID 16937621

IUPAC(NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCc1ccc(Cl)c2s/c(=N\S(=O)(=O)c3ccc(Cl)cc3)n(C)c12
InChIInChI=1S/C15H12Cl2N2O2S2/c1-9-3-8-12(17)14-13(9)19(2)15(22-14)18-23(20,21)11-6-4-10(16)5-7-11/h3-8H,1-2H3/b18-15-
InChIKeyBVCVAWOLLABWDL-SDXDJHTJSA-N
MW387.31 g/mol
LogP4.14
Rot. Bonds2

About (NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide

(NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (PubChem CID 16937621) has the molecular formula C15H12Cl2N2O2S2 and a molecular weight of 387.31 g/mol. Its IUPAC name is (NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
PubChem CID16937621
Molecular FormulaC15H12Cl2N2O2S2
Molecular Weight387.31 g/mol
Exact Mass385.97
IUPAC Name(NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCc1ccc(Cl)c2s/c(=N\S(=O)(=O)c3ccc(Cl)cc3)n(C)c12
InChIInChI=1S/C15H12Cl2N2O2S2/c1-9-3-8-12(17)14-13(9)19(2)15(22-14)18-23(20,21)11-6-4-10(16)5-7-11/h3-8H,1-2H3/b18-15-
InChIKeyBVCVAWOLLABWDL-SDXDJHTJSA-N
XLogP4.14
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891793
(NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938260
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide
CID 41126782
N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 40849516
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
CID 40885080
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopropyl(methyl)sulfamoyl]benzamide
CID 41364141
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 4618719
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide
CID 4107936
(NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936965
2,5-dichloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885241
(NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 16937804
(NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide
CID 16937597

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (CID 16937621) is (NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is Cc1ccc(Cl)c2s/c(=N\S(=O)(=O)c3ccc(Cl)cc3)n(C)c12.
What is the InChIKey of (NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The InChIKey is BVCVAWOLLABWDL-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S2/c1-9-3-8-12(17)14-13(9)19(2)15(22-14)18-23(20,21)11-6-4-10(16)5-7-11/h3-8H,1-2H3/b18-15-.
What are the key properties of (NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
(NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide has a molecular weight of 387.31 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 16937621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).