N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide

C15H12F2N2O3S2 — CID 2348494

IUPACN-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=c2sc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C15H12F2N2O3S2/c1-22-10-6-8-11(9-7-10)24(20,21)18-15-19(14(16)17)12-4-2-3-5-13(12)23-15/h2-9,14H,1H3
InChIKeyRCKZULJDFQALQP-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.40
Rot. Bonds4

About N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide

N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide (PubChem CID 2348494) has the molecular formula C15H12F2N2O3S2 and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide
PubChem CID2348494
Molecular FormulaC15H12F2N2O3S2
Molecular Weight370.40 g/mol
Exact Mass370.03
IUPAC NameN-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=c2sc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C15H12F2N2O3S2/c1-22-10-6-8-11(9-7-10)24(20,21)18-15-19(14(16)17)12-4-2-3-5-13(12)23-15/h2-9,14H,1H3
InChIKeyRCKZULJDFQALQP-UHFFFAOYSA-N
XLogP3.40
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937518
(NZ)-N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937386
N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891775
4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 40892178
(NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937383
(NZ)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937519
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891914
(NZ)-4-chloro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937642
(NZ)-4-methoxy-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937438
4-methoxy-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 40891908
(NZ)-4-methoxy-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937557
N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 40892134

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide (CID 2348494) is N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N=c2sc3ccccc3n2C(F)F)cc1.
What is the InChIKey of N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide?
The InChIKey is RCKZULJDFQALQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3S2/c1-22-10-6-8-11(9-7-10)24(20,21)18-15-19(14(16)17)12-4-2-3-5-13(12)23-15/h2-9,14H,1H3.
What are the key properties of N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide?
N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide has a molecular weight of 370.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2348494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).