3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide

C16H14ClN3O2S — CID 5091717

IUPAC3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1Cl
InChIInChI=1S/C16H14ClN3O2S/c1-3-22-13-7-5-10(8-11(13)17)16(21)18-14-9(2)4-6-12-15(14)20-23-19-12/h4-8H,3H2,1-2H3,(H,18,21)
InChIKeyRBADTROJBNDVET-UHFFFAOYSA-N
MW347.83 g/mol
LogP4.30
Rot. Bonds4

About 3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide

3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide (PubChem CID 5091717) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
PubChem CID5091717
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1Cl
InChIInChI=1S/C16H14ClN3O2S/c1-3-22-13-7-5-10(8-11(13)17)16(21)18-14-9(2)4-6-12-15(14)20-23-19-12/h4-8H,3H2,1-2H3,(H,18,21)
InChIKeyRBADTROJBNDVET-UHFFFAOYSA-N
XLogP4.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 30147579
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 960169
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-ethoxybenzamide
CID 3934866
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide
CID 5346053
3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide
CID 4694654
3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
CID 98016868
ethyl 2-(3-chloro-4-ethoxyphenyl)-2-oxoacetate
CID 91634042

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide (CID 5091717) is 3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide is CCOc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The InChIKey is RBADTROJBNDVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-3-22-13-7-5-10(8-11(13)17)16(21)18-14-9(2)4-6-12-15(14)20-23-19-12/h4-8H,3H2,1-2H3,(H,18,21).
What are the key properties of 3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide has a molecular weight of 347.83 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide is sourced from PubChem (CID 5091717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).