5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

C16H13ClN2O4S2 — CID 1371049

IUPAC5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C16H13ClN2O4S2/c1-23-13-6-3-9(17)7-11(13)15(20)19-16-18-12-5-4-10(25(2,21)22)8-14(12)24-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyZZKATURWFKHQEC-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.61
Rot. Bonds4

About 5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 1371049) has the molecular formula C16H13ClN2O4S2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID1371049
Molecular FormulaC16H13ClN2O4S2
Molecular Weight396.88 g/mol
Exact Mass396.00
IUPAC Name5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C16H13ClN2O4S2/c1-23-13-6-3-9(17)7-11(13)15(20)19-16-18-12-5-4-10(25(2,21)22)8-14(12)24-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyZZKATURWFKHQEC-UHFFFAOYSA-N
XLogP3.61
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (CID 1371049) is 5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is COc1ccc(Cl)cc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1.
What is the InChIKey of 5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is ZZKATURWFKHQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4S2/c1-23-13-6-3-9(17)7-11(13)15(20)19-16-18-12-5-4-10(25(2,21)22)8-14(12)24-16/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 396.88 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 1371049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).