N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide

C22H24F3N3O5S — CID 155622551

IUPACN,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cn(CC(O)C(F)(F)F)cn2)cc1
InChIInChI=1S/C22H24F3N3O5S/c1-32-18-7-3-16(4-8-18)11-28(12-17-5-9-19(33-2)10-6-17)34(30,31)21-14-27(15-26-21)13-20(29)22(23,24)25/h3-10,14-15,20,29H,11-13H2,1-2H3
InChIKeyPYJSQMMUECSBJW-UHFFFAOYSA-N
MW499.51 g/mol
LogP3.21
Rot. Bonds10

About N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide

N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide (PubChem CID 155622551) has the molecular formula C22H24F3N3O5S and a molecular weight of 499.51 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
PubChem CID155622551
Molecular FormulaC22H24F3N3O5S
Molecular Weight499.51 g/mol
Exact Mass499.14
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cn(CC(O)C(F)(F)F)cn2)cc1
InChIInChI=1S/C22H24F3N3O5S/c1-32-18-7-3-16(4-8-18)11-28(12-17-5-9-19(33-2)10-6-17)34(30,31)21-14-27(15-26-21)13-20(29)22(23,24)25/h3-10,14-15,20,29H,11-13H2,1-2H3
InChIKeyPYJSQMMUECSBJW-UHFFFAOYSA-N
XLogP3.21
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-hydroxybutyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 155166174
2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide
CID 137499468
N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
CID 171783920
1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 146797793
sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide
CID 165154248
1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide
CID 160613423
5-[1-(azetidin-1-yl)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-(1-hydroxyethyl)-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide
CID 158305964
2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide
CID 168793753
1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 107483772
1-(2-hydroxyethyl)-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide
CID 158630360
5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide
CID 162013950
1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 171783939

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide (CID 155622551) is N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cn(CC(O)C(F)(F)F)cn2)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The InChIKey is PYJSQMMUECSBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O5S/c1-32-18-7-3-16(4-8-18)11-28(12-17-5-9-19(33-2)10-6-17)34(30,31)21-14-27(15-26-21)13-20(29)22(23,24)25/h3-10,14-15,20,29H,11-13H2,1-2H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide has a molecular weight of 499.51 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 155622551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).