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

C12H9BrN2O2S3 — CID 16938154

IUPAC(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCn1/c(=N/S(=O)(=O)c2cccs2)sc2cccc(Br)c21
InChIInChI=1S/C12H9BrN2O2S3/c1-15-11-8(13)4-2-5-9(11)19-12(15)14-20(16,17)10-6-3-7-18-10/h2-7H,1H3/b14-12-
InChIKeyDTDRFGRJBURKMN-OWBHPGMISA-N
MW389.32 g/mol
LogP3.35
Rot. Bonds2

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

(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (PubChem CID 16938154) has the molecular formula C12H9BrN2O2S3 and a molecular weight of 389.32 g/mol. Its IUPAC name is (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
PubChem CID16938154
Molecular FormulaC12H9BrN2O2S3
Molecular Weight389.32 g/mol
Exact Mass387.90
IUPAC Name(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCn1/c(=N/S(=O)(=O)c2cccs2)sc2cccc(Br)c21
InChIInChI=1S/C12H9BrN2O2S3/c1-15-11-8(13)4-2-5-9(11)19-12(15)14-20(16,17)10-6-3-7-18-10/h2-7H,1H3/b14-12-
InChIKeyDTDRFGRJBURKMN-OWBHPGMISA-N
XLogP3.35
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 53.35
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)-5-chlorothiophene-2-sulfonamide
CID 16938352
N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892333
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937518
N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892491
(NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938162
(NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938019
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892464
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 42554002
(NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 16938080
(NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937519
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide
CID 42387958
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(diethylsulfamoyl)benzamide
CID 41235531

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The IUPAC name of (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (CID 16938154) is (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The canonical SMILES for (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide is Cn1/c(=N/S(=O)(=O)c2cccs2)sc2cccc(Br)c21.
What is the InChIKey of (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The InChIKey is DTDRFGRJBURKMN-OWBHPGMISA-N. The full InChI is InChI=1S/C12H9BrN2O2S3/c1-15-11-8(13)4-2-5-9(11)19-12(15)14-20(16,17)10-6-3-7-18-10/h2-7H,1H3/b14-12-.
What are the key properties of (NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide has a molecular weight of 389.32 g/mol, XLogP of 3.35, 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)thiophene-2-sulfonamide is sourced from PubChem (CID 16938154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).