N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide

C17H20F2N2O5S2 — CID 3735954

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C17H20F2N2O5S2/c1-4-21(5-2)28(24,25)12-9-10-16(26-3)15(11-12)20-27(22,23)17-13(18)7-6-8-14(17)19/h6-11,20H,4-5H2,1-3H3
InChIKeyONMUGBRNYNVAEV-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.80
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide (PubChem CID 3735954) has the molecular formula C17H20F2N2O5S2 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide
PubChem CID3735954
Molecular FormulaC17H20F2N2O5S2
Molecular Weight434.49 g/mol
Exact Mass434.08
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C17H20F2N2O5S2/c1-4-21(5-2)28(24,25)12-9-10-16(26-3)15(11-12)20-27(22,23)17-13(18)7-6-8-14(17)19/h6-11,20H,4-5H2,1-3H3
InChIKeyONMUGBRNYNVAEV-UHFFFAOYSA-N
XLogP2.80
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide
CID 3763909
2,3-dichloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzenesulfonamide
CID 4319845
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213
N,N-diethyl-4-methoxy-3-[(3-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2952239
N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
CID 35582178
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 4152728
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
N-[5-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24580932
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dimethylbenzamide
CID 9467095
N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 166186892

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide (CID 3735954) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2c(F)cccc2F)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is ONMUGBRNYNVAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O5S2/c1-4-21(5-2)28(24,25)12-9-10-16(26-3)15(11-12)20-27(22,23)17-13(18)7-6-8-14(17)19/h6-11,20H,4-5H2,1-3H3.
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 434.49 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 3735954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).