N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide

C15H12Cl2N2O3S2 — CID 40891793

IUPACN-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=c2sc3c(Cl)ccc(Cl)c3n2C)cc1
InChIInChI=1S/C15H12Cl2N2O3S2/c1-19-13-11(16)7-8-12(17)14(13)23-15(19)18-24(20,21)10-5-3-9(22-2)4-6-10/h3-8H,1-2H3
InChIKeyZEHDCMJXBOSUJG-UHFFFAOYSA-N
MW403.31 g/mol
LogP3.84
Rot. Bonds3

About N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide

N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide (PubChem CID 40891793) has the molecular formula C15H12Cl2N2O3S2 and a molecular weight of 403.31 g/mol. Its IUPAC name is N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
PubChem CID40891793
Molecular FormulaC15H12Cl2N2O3S2
Molecular Weight403.31 g/mol
Exact Mass401.97
IUPAC NameN-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=c2sc3c(Cl)ccc(Cl)c3n2C)cc1
InChIInChI=1S/C15H12Cl2N2O3S2/c1-19-13-11(16)7-8-12(17)14(13)23-15(19)18-24(20,21)10-5-3-9(22-2)4-6-10/h3-8H,1-2H3
InChIKeyZEHDCMJXBOSUJG-UHFFFAOYSA-N
XLogP3.84
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(NZ)-N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937425
(NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937621
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937518
N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 40849516
(NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 16937804
N-(7-chloro-4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 7590249
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891914
ethyl 2-[4,7-dichloro-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate
CID 40849511
N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 126200501
4-methoxy-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 40891908
N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 5082807
4-(azepan-1-ylsulfonyl)-N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4147162

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide (CID 40891793) is N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N=c2sc3c(Cl)ccc(Cl)c3n2C)cc1.
What is the InChIKey of N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The InChIKey is ZEHDCMJXBOSUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3S2/c1-19-13-11(16)7-8-12(17)14(13)23-15(19)18-24(20,21)10-5-3-9(22-2)4-6-10/h3-8H,1-2H3.
What are the key properties of N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide has a molecular weight of 403.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 40891793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).