(NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide

C16H16N2O2S2 — CID 16936965

IUPAC(NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCc1ccc2s/c(=N\S(=O)(=O)c3ccccc3)n(C)c2c1C
InChIInChI=1S/C16H16N2O2S2/c1-11-9-10-14-15(12(11)2)18(3)16(21-14)17-22(19,20)13-7-5-4-6-8-13/h4-10H,1-3H3/b17-16-
InChIKeyHCVZQNHXTMXMFT-MSUUIHNZSA-N
MW332.45 g/mol
LogP3.15
Rot. Bonds2

About (NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide

(NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (PubChem CID 16936965) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
PubChem CID16936965
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name(NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCc1ccc2s/c(=N\S(=O)(=O)c3ccccc3)n(C)c2c1C
InChIInChI=1S/C16H16N2O2S2/c1-11-9-10-14-15(12(11)2)18(3)16(21-14)17-22(19,20)13-7-5-4-6-8-13/h4-10H,1-3H3/b17-16-
InChIKeyHCVZQNHXTMXMFT-MSUUIHNZSA-N
XLogP3.15
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892333
(NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936970
2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5001748
4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152779
2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553153
(NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937128
(NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 16937804
4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553228
3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7519883
2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40951787
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937518
(NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937621

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (CID 16936965) is (NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is Cc1ccc2s/c(=N\S(=O)(=O)c3ccccc3)n(C)c2c1C.
What is the InChIKey of (NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The InChIKey is HCVZQNHXTMXMFT-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-11-9-10-14-15(12(11)2)18(3)16(21-14)17-22(19,20)13-7-5-4-6-8-13/h4-10H,1-3H3/b17-16-.
What are the key properties of (NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
(NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 16936965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).