(NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide

C16H16N2O3S2 — CID 16936970

IUPAC(NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCCOc1cccc2s/c(=N\S(=O)(=O)c3ccccc3)n(C)c12
InChIInChI=1S/C16H16N2O3S2/c1-3-21-13-10-7-11-14-15(13)18(2)16(22-14)17-23(19,20)12-8-5-4-6-9-12/h4-11H,3H2,1-2H3/b17-16-
InChIKeyKQKLPWNHUNOFBB-MSUUIHNZSA-N
MW348.45 g/mol
LogP2.93
Rot. Bonds4

About (NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide

(NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (PubChem CID 16936970) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
PubChem CID16936970
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name(NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCCOc1cccc2s/c(=N\S(=O)(=O)c3ccccc3)n(C)c12
InChIInChI=1S/C16H16N2O3S2/c1-3-21-13-10-7-11-14-15(13)18(2)16(22-14)17-23(19,20)12-8-5-4-6-9-12/h4-11H,3H2,1-2H3/b17-16-
InChIKeyKQKLPWNHUNOFBB-MSUUIHNZSA-N
XLogP2.93
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936965
(NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938019
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 5185543
3-(benzenesulfonyl)-N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
CID 41001584
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfonylpropanamide
CID 7519885
(NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 16937804
3-(benzenesulfonyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7153853
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide
CID 3457769
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
CID 40694900
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937518
N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 40849360
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 3416076

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (CID 16936970) is (NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is CCOc1cccc2s/c(=N\S(=O)(=O)c3ccccc3)n(C)c12.
What is the InChIKey of (NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The InChIKey is KQKLPWNHUNOFBB-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-3-21-13-10-7-11-14-15(13)18(2)16(22-14)17-23(19,20)12-8-5-4-6-9-12/h4-11H,3H2,1-2H3/b17-16-.
What are the key properties of (NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
(NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide has a molecular weight of 348.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 16936970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).