N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide

C18H19F3N2O4S2 — CID 46616213

IUPACN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O4S2/c1-12(11-27-2)23-29(25,26)16-9-5-14(6-10-16)22-17(24)13-3-7-15(8-4-13)28-18(19,20)21/h3-10,12,23H,11H2,1-2H3,(H,22,24)
InChIKeyQPHNDRQHXRPIPQ-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.86
Rot. Bonds8

About N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 46616213) has the molecular formula C18H19F3N2O4S2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID46616213
Molecular FormulaC18H19F3N2O4S2
Molecular Weight448.49 g/mol
Exact Mass448.07
IUPAC NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O4S2/c1-12(11-27-2)23-29(25,26)16-9-5-14(6-10-16)22-17(24)13-3-7-15(8-4-13)28-18(19,20)21/h3-10,12,23H,11H2,1-2H3,(H,22,24)
InChIKeyQPHNDRQHXRPIPQ-UHFFFAOYSA-N
XLogP3.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-(4-propylphenyl)benzamide
CID 9294142
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-(3-chloro-4-fluorophenyl)-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9165962
6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
CID 2547899
2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 78778266
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
methyl 2-[[4-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoyl]amino]acetate
CID 46636688
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9211744
N-(2,3-dimethylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9342410

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide (CID 46616213) is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide is COCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is QPHNDRQHXRPIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S2/c1-12(11-27-2)23-29(25,26)16-9-5-14(6-10-16)22-17(24)13-3-7-15(8-4-13)28-18(19,20)21/h3-10,12,23H,11H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide?
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 448.49 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 46616213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).