3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide

C16H15Cl2NO5S — CID 51109848

IUPAC3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H15Cl2NO5S/c1-3-24-15-13(18)8-10(9-14(15)23-2)16(20)19-25(21,22)12-6-4-11(17)5-7-12/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyUMCYWIHOLSQUDZ-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.52
Rot. Bonds6

About 3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide

3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide (PubChem CID 51109848) has the molecular formula C16H15Cl2NO5S and a molecular weight of 404.27 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide
PubChem CID51109848
Molecular FormulaC16H15Cl2NO5S
Molecular Weight404.27 g/mol
Exact Mass403.00
IUPAC Name3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H15Cl2NO5S/c1-3-24-15-13(18)8-10(9-14(15)23-2)16(20)19-25(21,22)12-6-4-11(17)5-7-12/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyUMCYWIHOLSQUDZ-UHFFFAOYSA-N
XLogP3.52
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3-chloro-N-(3-cyanophenyl)sulfonyl-4,5-dimethoxybenzamide
CID 75403992
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide
CID 24659660
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 39963862
3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 43010464
N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
CID 11279720
N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34340171
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119521982

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide?
The IUPAC name of 3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide (CID 51109848) is 3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for 3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide?
The InChIKey is UMCYWIHOLSQUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO5S/c1-3-24-15-13(18)8-10(9-14(15)23-2)16(20)19-25(21,22)12-6-4-11(17)5-7-12/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide?
3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide has a molecular weight of 404.27 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 51109848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).