(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide

C12H8BrClN2O2S3 — CID 16938352

IUPAC(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide
SMILESCn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2cccc(Br)c21
InChIInChI=1S/C12H8BrClN2O2S3/c1-16-11-7(13)3-2-4-8(11)19-12(16)15-21(17,18)10-6-5-9(14)20-10/h2-6H,1H3/b15-12-
InChIKeyWKBQTWWYRXMTQX-QINSGFPZSA-N
MW423.77 g/mol
LogP4.01
Rot. Bonds2

About (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide

(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide (PubChem CID 16938352) has the molecular formula C12H8BrClN2O2S3 and a molecular weight of 423.77 g/mol. Its IUPAC name is (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide
PubChem CID16938352
Molecular FormulaC12H8BrClN2O2S3
Molecular Weight423.77 g/mol
Exact Mass421.86
IUPAC Name(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide
SMILESCn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2cccc(Br)c21
InChIInChI=1S/C12H8BrClN2O2S3/c1-16-11-7(13)3-2-4-8(11)19-12(16)15-21(17,18)10-6-5-9(14)20-10/h2-6H,1H3/b15-12-
InChIKeyWKBQTWWYRXMTQX-QINSGFPZSA-N
XLogP4.01
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.77
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938154
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937518
(NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938260
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide
CID 42387958
(NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 16937804
5-chloro-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892562
4-bromo-3-methyl-1,3-benzothiazole-2-thione
CID 13075591
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-chlorophenyl)sulfonylbutanamide
CID 25407765
N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892333
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(diethylsulfamoyl)benzamide
CID 41235531
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-ethylsulfonylphenyl)acetamide
CID 41126959
5-chloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892645

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide (CID 16938352) is (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide is Cn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2cccc(Br)c21.
What is the InChIKey of (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide?
The InChIKey is WKBQTWWYRXMTQX-QINSGFPZSA-N. The full InChI is InChI=1S/C12H8BrClN2O2S3/c1-16-11-7(13)3-2-4-8(11)19-12(16)15-21(17,18)10-6-5-9(14)20-10/h2-6H,1H3/b15-12-.
What are the key properties of (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide?
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide has a molecular weight of 423.77 g/mol, XLogP of 4.01, 2 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)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 16938352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).