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

C18H16Cl2N2O3S2 — CID 43985105

IUPAC2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C18H16Cl2N2O3S2/c1-3-8-22-15-7-5-12(27(2,24)25)10-16(15)26-18(22)21-17(23)13-9-11(19)4-6-14(13)20/h4-7,9-10H,3,8H2,1-2H3/b21-18-
InChIKeyMLUFKONYEIYTDA-UZYVYHOESA-N
MW443.38 g/mol
LogP4.56
Rot. Bonds4

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

2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43985105) has the molecular formula C18H16Cl2N2O3S2 and a molecular weight of 443.38 g/mol. Its IUPAC name is 2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43985105
Molecular FormulaC18H16Cl2N2O3S2
Molecular Weight443.38 g/mol
Exact Mass442.00
IUPAC Name2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C18H16Cl2N2O3S2/c1-3-8-22-15-7-5-12(27(2,24)25)10-16(15)26-18(22)21-17(23)13-9-11(19)4-6-14(13)20/h4-7,9-10H,3,8H2,1-2H3/b21-18-
InChIKeyMLUFKONYEIYTDA-UZYVYHOESA-N
XLogP4.56
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3563157
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
2,4-dichloro-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3320324
2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984080
ethyl 2-[2-(2,5-dichlorobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
CID 4178036
N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 43985159
4-(diethylsulfamoyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43985079
4-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43985100
3,4-dimethoxy-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43985096
2,4-dichloro-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984974
2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979791

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43985105) is 2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cc(S(C)(=O)=O)ccc21.
What is the InChIKey of 2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is MLUFKONYEIYTDA-UZYVYHOESA-N. The full InChI is InChI=1S/C18H16Cl2N2O3S2/c1-3-8-22-15-7-5-12(27(2,24)25)10-16(15)26-18(22)21-17(23)13-9-11(19)4-6-14(13)20/h4-7,9-10H,3,8H2,1-2H3/b21-18-.
What are the key properties of 2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 443.38 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43985105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).