2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide

C17H20FN3O5S2 — CID 56532417

IUPAC2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C17H20FN3O5S2/c1-11(12-5-4-6-13(9-12)27(19,23)24)21(3)17(22)15-10-14(7-8-16(15)18)28(25,26)20-2/h4-11,20H,1-3H3,(H2,19,23,24)
InChIKeyNPNXLXRDRMMQBB-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.21
Rot. Bonds6

About 2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide

2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide (PubChem CID 56532417) has the molecular formula C17H20FN3O5S2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
PubChem CID56532417
Molecular FormulaC17H20FN3O5S2
Molecular Weight429.50 g/mol
Exact Mass429.08
IUPAC Name2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C17H20FN3O5S2/c1-11(12-5-4-6-13(9-12)27(19,23)24)21(3)17(22)15-10-14(7-8-16(15)18)28(25,26)20-2/h4-11,20H,1-3H3,(H2,19,23,24)
InChIKeyNPNXLXRDRMMQBB-UHFFFAOYSA-N
XLogP1.21
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 95336916
N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide
CID 43549195
3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86807582
2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635547
2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide
CID 166429332
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 51188228
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 61111567
(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
CID 95333326
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea
CID 99804013
3-[1-[2-hydroxybutyl(methyl)amino]ethyl]benzenesulfonamide
CID 111544265

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide (CID 56532417) is 2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide is CNS(=O)(=O)c1ccc(F)c(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is NPNXLXRDRMMQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O5S2/c1-11(12-5-4-6-13(9-12)27(19,23)24)21(3)17(22)15-10-14(7-8-16(15)18)28(25,26)20-2/h4-11,20H,1-3H3,(H2,19,23,24).
What are the key properties of 2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 429.50 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 56532417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).