(NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide

C15H14N2O2S3 — CID 16937128

IUPAC(NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCSc1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccccc1)n2C
InChIInChI=1S/C15H14N2O2S3/c1-17-13-9-8-11(20-2)10-14(13)21-15(17)16-22(18,19)12-6-4-3-5-7-12/h3-10H,1-2H3/b16-15-
InChIKeyIVTFURRDGGCHNX-NXVVXOECSA-N
MW350.49 g/mol
LogP3.25
Rot. Bonds3

About (NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide

(NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (PubChem CID 16937128) has the molecular formula C15H14N2O2S3 and a molecular weight of 350.49 g/mol. Its IUPAC name is (NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
PubChem CID16937128
Molecular FormulaC15H14N2O2S3
Molecular Weight350.49 g/mol
Exact Mass350.02
IUPAC Name(NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCSc1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccccc1)n2C
InChIInChI=1S/C15H14N2O2S3/c1-17-13-9-8-11(20-2)10-14(13)21-15(17)16-22(18,19)12-6-4-3-5-7-12/h3-10H,1-2H3/b16-15-
InChIKeyIVTFURRDGGCHNX-NXVVXOECSA-N
XLogP3.25
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849467
4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40892129
(NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16841639
ethyl 2-(benzenesulfonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate
CID 40849304
N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide
CID 7595635
N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 40891760
(NZ)-N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 16937341
4-methyl-N-(6-methylsulfanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40891763
4-benzylsulfonyl-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)butanamide
CID 42558301
(NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide
CID 16937597
(NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936963
(NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936965

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (CID 16937128) is (NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is CSc1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccccc1)n2C.
What is the InChIKey of (NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The InChIKey is IVTFURRDGGCHNX-NXVVXOECSA-N. The full InChI is InChI=1S/C15H14N2O2S3/c1-17-13-9-8-11(20-2)10-14(13)21-15(17)16-22(18,19)12-6-4-3-5-7-12/h3-10H,1-2H3/b16-15-.
What are the key properties of (NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
(NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide has a molecular weight of 350.49 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 16937128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).