N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide

C16H12N2O2S3 — CID 42554002

IUPACN-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCn1c(=NS(=O)(=O)c2cccs2)sc2c3ccccc3ccc21
InChIInChI=1S/C16H12N2O2S3/c1-18-13-9-8-11-5-2-3-6-12(11)15(13)22-16(18)17-23(19,20)14-7-4-10-21-14/h2-10H,1H3
InChIKeyWWOBVUVNKVMAGQ-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.74
Rot. Bonds2

About N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide

N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide (PubChem CID 42554002) has the molecular formula C16H12N2O2S3 and a molecular weight of 360.49 g/mol. Its IUPAC name is N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide
PubChem CID42554002
Molecular FormulaC16H12N2O2S3
Molecular Weight360.49 g/mol
Exact Mass360.01
IUPAC NameN-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCn1c(=NS(=O)(=O)c2cccs2)sc2c3ccccc3ccc21
InChIInChI=1S/C16H12N2O2S3/c1-18-13-9-8-11-5-2-3-6-12(11)15(13)22-16(18)17-23(19,20)14-7-4-10-21-14/h2-10H,1H3
InChIKeyWWOBVUVNKVMAGQ-UHFFFAOYSA-N
XLogP3.74
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938162
N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892491
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3244694
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892464
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938154
N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892333
3-ethylsulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 40697545
(NZ)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 16938057
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 4285892
(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 16841599
(2R)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42551419
(NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 16841619

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The IUPAC name of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide (CID 42554002) is N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide is Cn1c(=NS(=O)(=O)c2cccs2)sc2c3ccccc3ccc21.
What is the InChIKey of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The InChIKey is WWOBVUVNKVMAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S3/c1-18-13-9-8-11-5-2-3-6-12(11)15(13)22-16(18)17-23(19,20)14-7-4-10-21-14/h2-10H,1H3.
What are the key properties of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide?
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide has a molecular weight of 360.49 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide is sourced from PubChem (CID 42554002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).