2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide

C17H18F2N2O4S — CID 78778266

IUPAC2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-11(10-25-2)21-26(23,24)13-8-6-12(7-9-13)20-17(22)16-14(18)4-3-5-15(16)19/h3-9,11,21H,10H2,1-2H3,(H,20,22)
InChIKeyAEDIGRBRAKSLQP-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.53
Rot. Bonds7

About 2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide

2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 78778266) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
PubChem CID78778266
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC Name2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-11(10-25-2)21-26(23,24)13-8-6-12(7-9-13)20-17(22)16-14(18)4-3-5-15(16)19/h3-9,11,21H,10H2,1-2H3,(H,20,22)
InChIKeyAEDIGRBRAKSLQP-UHFFFAOYSA-N
XLogP2.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
N-(3-chloro-4-fluorophenyl)-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9165962
5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 42906818
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 46616213
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide
CID 39948388
4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-(4-propylphenyl)benzamide
CID 9294142
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-phenylbutanamide
CID 43007936
2,6-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17146819
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 47004794

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide (CID 78778266) is 2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide is COCC(C)NS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is AEDIGRBRAKSLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-11(10-25-2)21-26(23,24)13-8-6-12(7-9-13)20-17(22)16-14(18)4-3-5-15(16)19/h3-9,11,21H,10H2,1-2H3,(H,20,22).
What are the key properties of 2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide?
2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 384.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 78778266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).