(NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide

C14H10BrClN2O2S2 — CID 16937597

IUPAC(NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide
SMILESCn1/c(=N/S(=O)(=O)c2ccc(Cl)cc2)sc2cc(Br)ccc21
InChIInChI=1S/C14H10BrClN2O2S2/c1-18-12-7-2-9(15)8-13(12)21-14(18)17-22(19,20)11-5-3-10(16)4-6-11/h2-8H,1H3/b17-14-
InChIKeyXMWFMCGMJINIOU-VKAVYKQESA-N
MW417.74 g/mol
LogP3.95
Rot. Bonds2

About (NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide

(NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide (PubChem CID 16937597) has the molecular formula C14H10BrClN2O2S2 and a molecular weight of 417.74 g/mol. Its IUPAC name is (NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide
PubChem CID16937597
Molecular FormulaC14H10BrClN2O2S2
Molecular Weight417.74 g/mol
Exact Mass415.91
IUPAC Name(NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide
SMILESCn1/c(=N/S(=O)(=O)c2ccc(Cl)cc2)sc2cc(Br)ccc21
InChIInChI=1S/C14H10BrClN2O2S2/c1-18-12-7-2-9(15)8-13(12)21-14(18)17-22(19,20)11-5-3-10(16)4-6-11/h2-8H,1H3/b17-14-
InChIKeyXMWFMCGMJINIOU-VKAVYKQESA-N
XLogP3.95
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.74
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-chlorobenzenesulfonamide
CID 40892005
4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40892129
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849297
(NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937128
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide
CID 4056926
(NZ)-4-chloro-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937639
(NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16841639
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891914
4-chloro-N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 40892013
methyl 2-[(2Z)-6-bromo-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate
CID 16937248
4-chloro-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40892067
(NZ)-4-chloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937747

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide?
The IUPAC name of (NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide (CID 16937597) is (NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide?
The canonical SMILES for (NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide is Cn1/c(=N/S(=O)(=O)c2ccc(Cl)cc2)sc2cc(Br)ccc21.
What is the InChIKey of (NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide?
The InChIKey is XMWFMCGMJINIOU-VKAVYKQESA-N. The full InChI is InChI=1S/C14H10BrClN2O2S2/c1-18-12-7-2-9(15)8-13(12)21-14(18)17-22(19,20)11-5-3-10(16)4-6-11/h2-8H,1H3/b17-14-.
What are the key properties of (NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide?
(NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide has a molecular weight of 417.74 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 16937597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).