2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide

C17H15ClN2O4S2 — CID 8883217

IUPAC2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
SMILESCCOc1ccc2nc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)sc2c1
InChIInChI=1S/C17H15ClN2O4S2/c1-3-24-10-4-7-14-15(8-10)25-17(19-14)20-16(21)12-9-11(26(2,22)23)5-6-13(12)18/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeySAXFBXLRLHPVNW-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.00
Rot. Bonds5

About 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide

2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide (PubChem CID 8883217) has the molecular formula C17H15ClN2O4S2 and a molecular weight of 410.90 g/mol. Its IUPAC name is 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
PubChem CID8883217
Molecular FormulaC17H15ClN2O4S2
Molecular Weight410.90 g/mol
Exact Mass410.02
IUPAC Name2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
SMILESCCOc1ccc2nc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)sc2c1
InChIInChI=1S/C17H15ClN2O4S2/c1-3-24-10-4-7-14-15(8-10)25-17(19-14)20-16(21)12-9-11(26(2,22)23)5-6-13(12)18/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeySAXFBXLRLHPVNW-UHFFFAOYSA-N
XLogP4.00
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2971147
4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 26251712
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
CID 24568248
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 35996706
4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3591335
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414
3-(4-chlorophenyl)sulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 18076696
2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3249523
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 43952248
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide (CID 8883217) is 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide is CCOc1ccc2nc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)sc2c1.
What is the InChIKey of 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide?
The InChIKey is SAXFBXLRLHPVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S2/c1-3-24-10-4-7-14-15(8-10)25-17(19-14)20-16(21)12-9-11(26(2,22)23)5-6-13(12)18/h4-9H,3H2,1-2H3,(H,19,20,21).
What are the key properties of 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide?
2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide has a molecular weight of 410.90 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide is sourced from PubChem (CID 8883217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).