N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide

C18H20N2O2S2 — CID 40849508

IUPACN-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
SMILESCCn1c(=NS(=O)(=O)c2ccc(C)cc2)sc2c(C)cc(C)cc21
InChIInChI=1S/C18H20N2O2S2/c1-5-20-16-11-13(3)10-14(4)17(16)23-18(20)19-24(21,22)15-8-6-12(2)7-9-15/h6-11H,5H2,1-4H3
InChIKeyRLUFOBLDZKHKTJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.94
Rot. Bonds3

About N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide

N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 40849508) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID40849508
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC NameN-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
SMILESCCn1c(=NS(=O)(=O)c2ccc(C)cc2)sc2c(C)cc(C)cc21
InChIInChI=1S/C18H20N2O2S2/c1-5-20-16-11-13(3)10-14(4)17(16)23-18(20)19-24(21,22)15-8-6-12(2)7-9-15/h6-11H,5H2,1-4H3
InChIKeyRLUFOBLDZKHKTJ-UHFFFAOYSA-N
XLogP3.94
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide (CID 40849508) is N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide is CCn1c(=NS(=O)(=O)c2ccc(C)cc2)sc2c(C)cc(C)cc21.
What is the InChIKey of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is RLUFOBLDZKHKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c1-5-20-16-11-13(3)10-14(4)17(16)23-18(20)19-24(21,22)15-8-6-12(2)7-9-15/h6-11H,5H2,1-4H3.
What are the key properties of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide?
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 360.50 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 40849508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).