2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide

C16H12Cl2N2O3S2 — CID 3563157

IUPAC2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C16H12Cl2N2O3S2/c1-20-13-6-4-10(25(2,22)23)8-14(13)24-16(20)19-15(21)11-7-9(17)3-5-12(11)18/h3-8H,1-2H3/b19-16-
InChIKeyWQOLAHFTMFLHCM-MNDPQUGUSA-N
MW415.32 g/mol
LogP3.69
Rot. Bonds2

About 2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide

2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 3563157) has the molecular formula C16H12Cl2N2O3S2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID3563157
Molecular FormulaC16H12Cl2N2O3S2
Molecular Weight415.32 g/mol
Exact Mass413.97
IUPAC Name2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C16H12Cl2N2O3S2/c1-20-13-6-4-10(25(2,22)23)8-14(13)24-16(20)19-15(21)11-7-9(17)3-5-12(11)18/h3-8H,1-2H3/b19-16-
InChIKeyWQOLAHFTMFLHCM-MNDPQUGUSA-N
XLogP3.69
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43985105
2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047770
2,4-dichloro-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3320324
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide
CID 4056926
ethyl 2-[2-(2,5-dichlorobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
CID 4178036
2,5-dichloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983980
3-chloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 8612982
4-butoxy-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5252740
N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3-oxobenzo[f]chromene-2-carboxamide
CID 4119279
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetamide
CID 7519784
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121043961
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
CID 27602042

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide (CID 3563157) is 2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide is Cn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cc(S(C)(=O)=O)ccc21.
What is the InChIKey of 2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is WQOLAHFTMFLHCM-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3S2/c1-20-13-6-4-10(25(2,22)23)8-14(13)24-16(20)19-15(21)11-7-9(17)3-5-12(11)18/h3-8H,1-2H3/b19-16-.
What are the key properties of 2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide?
2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 415.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 3563157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).