(NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide

C16H15BrN2O3S2 — CID 16937519

IUPAC(NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
SMILESCCn1/c(=N/S(=O)(=O)c2ccc(OC)cc2)sc2cccc(Br)c21
InChIInChI=1S/C16H15BrN2O3S2/c1-3-19-15-13(17)5-4-6-14(15)23-16(19)18-24(20,21)12-9-7-11(22-2)8-10-12/h4-10H,3H2,1-2H3/b18-16-
InChIKeyNERXNODATDZSRL-VLGSPTGOSA-N
MW427.35 g/mol
LogP3.78
Rot. Bonds4

About (NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide

(NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide (PubChem CID 16937519) has the molecular formula C16H15BrN2O3S2 and a molecular weight of 427.35 g/mol. Its IUPAC name is (NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
PubChem CID16937519
Molecular FormulaC16H15BrN2O3S2
Molecular Weight427.35 g/mol
Exact Mass425.97
IUPAC Name(NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
SMILESCCn1/c(=N/S(=O)(=O)c2ccc(OC)cc2)sc2cccc(Br)c21
InChIInChI=1S/C16H15BrN2O3S2/c1-3-19-15-13(17)5-4-6-14(15)23-16(19)18-24(20,21)12-9-7-11(22-2)8-10-12/h4-10H,3H2,1-2H3/b18-16-
InChIKeyNERXNODATDZSRL-VLGSPTGOSA-N
XLogP3.78
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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)-4-methoxybenzenesulfonamide
CID 16937518
N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891775
(NZ)-N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937386
N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16924660
N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 40892134
N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891781
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 25408131
N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 40892157
N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 40849507
N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide
CID 2348494
(NZ)-4-methoxy-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937438

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The IUPAC name of (NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide (CID 16937519) is (NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The canonical SMILES for (NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide is CCn1/c(=N/S(=O)(=O)c2ccc(OC)cc2)sc2cccc(Br)c21.
What is the InChIKey of (NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The InChIKey is NERXNODATDZSRL-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H15BrN2O3S2/c1-3-19-15-13(17)5-4-6-14(15)23-16(19)18-24(20,21)12-9-7-11(22-2)8-10-12/h4-10H,3H2,1-2H3/b18-16-.
What are the key properties of (NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
(NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide has a molecular weight of 427.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 16937519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).