5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide

C20H26FN3O5S2 — CID 55910283

IUPAC5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C20H26FN3O5S2/c1-4-23-31(28,29)17-9-10-19(21)18(11-17)20(25)22-12-15-5-7-16(8-6-15)13-30(26,27)24-14(2)3/h5-11,14,23-24H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyBXMINXSMAOOZSU-UHFFFAOYSA-N
MW471.58 g/mol
LogP1.88
Rot. Bonds10

About 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide

5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide (PubChem CID 55910283) has the molecular formula C20H26FN3O5S2 and a molecular weight of 471.58 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
PubChem CID55910283
Molecular FormulaC20H26FN3O5S2
Molecular Weight471.58 g/mol
Exact Mass471.13
IUPAC Name5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C20H26FN3O5S2/c1-4-23-31(28,29)17-9-10-19(21)18(11-17)20(25)22-12-15-5-7-16(8-6-15)13-30(26,27)24-14(2)3/h5-11,14,23-24H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyBXMINXSMAOOZSU-UHFFFAOYSA-N
XLogP1.88
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55910020
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 90259869
5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989
5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55813430
N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 48532285
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55758428
5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 34558079
2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052685
3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367572
2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 52541663
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 60544335

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide (CID 55910283) is 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide is CCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The InChIKey is BXMINXSMAOOZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O5S2/c1-4-23-31(28,29)17-9-10-19(21)18(11-17)20(25)22-12-15-5-7-16(8-6-15)13-30(26,27)24-14(2)3/h5-11,14,23-24H,4,12-13H2,1-3H3,(H,22,25).
What are the key properties of 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide has a molecular weight of 471.58 g/mol, XLogP of 1.88, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55910283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).