N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide

C32H31F4NO7S2 — CID 161487646

IUPACN-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCC(=O)CS(=O)(=O)c1cc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc(F)c1CO
InChIInChI=1S/C32H31F4NO7S2/c1-19-11-20(2)31(21(3)12-19)46(42,43)37(16-26-9-10-30(44-26)32(34,35)36)15-23-5-7-24(8-6-23)25-13-28(33)27(17-38)29(14-25)45(40,41)18-22(4)39/h5-14,38H,15-18H2,1-4H3
InChIKeyFOWWGVWXIADVDF-UHFFFAOYSA-N
MW681.73 g/mol
LogP6.28
Rot. Bonds11

About N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide

N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide (PubChem CID 161487646) has the molecular formula C32H31F4NO7S2 and a molecular weight of 681.73 g/mol. Its IUPAC name is N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
PubChem CID161487646
Molecular FormulaC32H31F4NO7S2
Molecular Weight681.73 g/mol
Exact Mass681.15
IUPAC NameN-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCC(=O)CS(=O)(=O)c1cc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc(F)c1CO
InChIInChI=1S/C32H31F4NO7S2/c1-19-11-20(2)31(21(3)12-19)46(42,43)37(16-26-9-10-30(44-26)32(34,35)36)15-23-5-7-24(8-6-23)25-13-28(33)27(17-38)29(14-25)45(40,41)18-22(4)39/h5-14,38H,15-18H2,1-4H3
InChIKeyFOWWGVWXIADVDF-UHFFFAOYSA-N
XLogP6.28
TPSA121.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.73
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(acetyloxymethyl)-3-fluoro-5-[4-[[[5-(trifluoromethyl)furan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]phenyl]sulfanylacetate
CID 142450865
ethyl 2-[3-fluoro-2-(hydroxymethyl)-5-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]sulfonylacetate
CID 146553865
N-[[4-[3-(3-hydroxybut-3-enylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
CID 160552828
2-[1,1-dioxo-4-[4-[[[5-(trifluoromethyl)furan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]thiophen-2-yl]acetic acid
CID 146498867
N-[[5-(difluoromethyl)furan-2-yl]methyl]-2,4,6-trimethyl-N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]benzenesulfonamide
CID 160935318
N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide
CID 159662840
2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
CID 146472006
2-[3-fluoro-5-[4-[[[5-(trifluoromethyl)furan-2-yl]methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]phenyl]phenyl]sulfonylacetic acid
CID 146553387
2-[3-[4-[[(2,4-dimethylnaphthalen-1-yl)sulfonyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]-2-methylpropanoic acid
CID 142450867
3-[5-[[[4-[3-(carboxymethylsulfonyl)phenyl]phenyl]methyl-(4-fluoro-2,6-dimethylphenyl)sulfonylamino]methyl]-2-(trifluoromethyl)furan-3-yl]-2-[3-[3-methoxy-4-[[[5-(trifluoromethyl)furan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]phenyl]-2-methylpropanoic acid
CID 146498833
methyl 2-[2-ethyl-3-fluoro-5-[4-[[[5-(trifluoromethyl)furan-2-yl]methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]phenyl]phenyl]sulfanylacetate
CID 146701997
2-[2-methylsulfonyl-4-[4-[[[5-(trifluoromethyl)furan-2-yl]methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]phenyl]phenyl]propan-2-ol
CID 154647154

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide (CID 161487646) is N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide is CC(=O)CS(=O)(=O)c1cc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc(F)c1CO.
What is the InChIKey of N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide?
The InChIKey is FOWWGVWXIADVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F4NO7S2/c1-19-11-20(2)31(21(3)12-19)46(42,43)37(16-26-9-10-30(44-26)32(34,35)36)15-23-5-7-24(8-6-23)25-13-28(33)27(17-38)29(14-25)45(40,41)18-22(4)39/h5-14,38H,15-18H2,1-4H3.
What are the key properties of N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide?
N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide has a molecular weight of 681.73 g/mol, XLogP of 6.28, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 161487646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).