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

C15H13BrN2O3S2 — CID 16937518

IUPAC(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=c2\sc3cccc(Br)c3n2C)cc1
InChIInChI=1S/C15H13BrN2O3S2/c1-18-14-12(16)4-3-5-13(14)22-15(18)17-23(19,20)11-8-6-10(21-2)7-9-11/h3-9H,1-2H3/b17-15-
InChIKeyLGNFZRMRLOLCNO-ICFOKQHNSA-N
MW413.32 g/mol
LogP3.30
Rot. Bonds3

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

(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide (PubChem CID 16937518) has the molecular formula C15H13BrN2O3S2 and a molecular weight of 413.32 g/mol. Its IUPAC name is (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
PubChem CID16937518
Molecular FormulaC15H13BrN2O3S2
Molecular Weight413.32 g/mol
Exact Mass411.96
IUPAC Name(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=c2\sc3cccc(Br)c3n2C)cc1
InChIInChI=1S/C15H13BrN2O3S2/c1-18-14-12(16)4-3-5-13(14)22-15(18)17-23(19,20)11-8-6-10(21-2)7-9-11/h3-9H,1-2H3/b17-15-
InChIKeyLGNFZRMRLOLCNO-ICFOKQHNSA-N
XLogP3.30
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937519
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938154
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 25408131
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045472
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide
CID 16938352
(NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937383
N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891793
(NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 16937804
N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide
CID 2348494
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891914
(NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936970
4-methoxy-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 40891908

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The IUPAC name of (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide (CID 16937518) is (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The canonical SMILES for (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)/N=c2\sc3cccc(Br)c3n2C)cc1.
What is the InChIKey of (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The InChIKey is LGNFZRMRLOLCNO-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H13BrN2O3S2/c1-18-14-12(16)4-3-5-13(14)22-15(18)17-23(19,20)11-8-6-10(21-2)7-9-11/h3-9H,1-2H3/b17-15-.
What are the key properties of (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide has a molecular weight of 413.32 g/mol, XLogP of 3.30, 3 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-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 16937518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).