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

C17H18N2O2S3 — CID 40849467

IUPACN-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCCCn1c(=NS(=O)(=O)c2ccccc2)sc2cc(SC)ccc21
InChIInChI=1S/C17H18N2O2S3/c1-3-11-19-15-10-9-13(22-2)12-16(15)23-17(19)18-24(20,21)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3
InChIKeyHSNPJGNWUGCDEO-UHFFFAOYSA-N
MW378.54 g/mol
LogP4.12
Rot. Bonds5

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

N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (PubChem CID 40849467) has the molecular formula C17H18N2O2S3 and a molecular weight of 378.54 g/mol. Its IUPAC name is N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
PubChem CID40849467
Molecular FormulaC17H18N2O2S3
Molecular Weight378.54 g/mol
Exact Mass378.05
IUPAC NameN-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCCCn1c(=NS(=O)(=O)c2ccccc2)sc2cc(SC)ccc21
InChIInChI=1S/C17H18N2O2S3/c1-3-11-19-15-10-9-13(22-2)12-16(15)23-17(19)18-24(20,21)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3
InChIKeyHSNPJGNWUGCDEO-UHFFFAOYSA-N
XLogP4.12
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16841639
(NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937128
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
(NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936963
4-methyl-N-(6-methylsulfanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40891763
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849297
(NZ)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937019
(NZ)-N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937099
N-[2-(benzenesulfonylimino)-3-(2-ethoxyethyl)-1,3-benzothiazol-6-yl]acetamide
CID 40849357
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849398
ethyl 2-[2-(benzenesulfonylimino)-6-fluoro-1,3-benzothiazol-3-yl]acetate
CID 40849384

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The IUPAC name of N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (CID 40849467) is N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.
What is the SMILES notation for N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The canonical SMILES for N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is CCCn1c(=NS(=O)(=O)c2ccccc2)sc2cc(SC)ccc21.
What is the InChIKey of N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The InChIKey is HSNPJGNWUGCDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S3/c1-3-11-19-15-10-9-13(22-2)12-16(15)23-17(19)18-24(20,21)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3.
What are the key properties of N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide has a molecular weight of 378.54 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 40849467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).