3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide

C17H18ClFN2O5S — CID 24659660

IUPAC3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C17H18ClFN2O5S/c1-4-26-16-12(18)7-10(8-15(16)25-2)17(22)20-11-5-6-13(19)14(9-11)21-27(3,23)24/h5-9,21H,4H2,1-3H3,(H,20,22)
InChIKeyBSLMMAUPMHIUBW-UHFFFAOYSA-N
MW416.86 g/mol
LogP3.51
Rot. Bonds7

About 3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide

3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide (PubChem CID 24659660) has the molecular formula C17H18ClFN2O5S and a molecular weight of 416.86 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide
PubChem CID24659660
Molecular FormulaC17H18ClFN2O5S
Molecular Weight416.86 g/mol
Exact Mass416.06
IUPAC Name3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C17H18ClFN2O5S/c1-4-26-16-12(18)7-10(8-15(16)25-2)17(22)20-11-5-6-13(19)14(9-11)21-27(3,23)24/h5-9,21H,4H2,1-3H3,(H,20,22)
InChIKeyBSLMMAUPMHIUBW-UHFFFAOYSA-N
XLogP3.51
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide
CID 55946908
N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide
CID 46555581
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
CID 24673293
3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide
CID 26908340
N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 55551104
3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 26239702
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948208
3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide
CID 51109848
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide (CID 24659660) is 3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide?
The InChIKey is BSLMMAUPMHIUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O5S/c1-4-26-16-12(18)7-10(8-15(16)25-2)17(22)20-11-5-6-13(19)14(9-11)21-27(3,23)24/h5-9,21H,4H2,1-3H3,(H,20,22).
What are the key properties of 3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide?
3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide has a molecular weight of 416.86 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide is sourced from PubChem (CID 24659660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).