2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C17H16N2O3S2 — CID 7578603

IUPAC2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C17H16N2O3S2/c1-3-24(21,22)15-7-5-4-6-12(15)16(20)19-17-18-13-9-8-11(2)10-14(13)23-17/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyKPAIZRCEBAZJOI-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.65
Rot. Bonds4

About 2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7578603) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7578603
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC Name2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C17H16N2O3S2/c1-3-24(21,22)15-7-5-4-6-12(15)16(20)19-17-18-13-9-8-11(2)10-14(13)23-17/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyKPAIZRCEBAZJOI-UHFFFAOYSA-N
XLogP3.65
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7578610
2-ethylsulfonyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 55625032
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7267001
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
5-(diethylsulfamoyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983232
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-[[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]sulfamoyl]benzamide
CID 4049160
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616
N-[2-(dimethylamino)ethyl]-2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44927871
2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3601899
2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 134236054

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 7578603) is 2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(C)cc2s1.
What is the InChIKey of 2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is KPAIZRCEBAZJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-3-24(21,22)15-7-5-4-6-12(15)16(20)19-17-18-13-9-8-11(2)10-14(13)23-17/h4-10H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 360.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7578603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).