3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide

C34H26Cl4F2N2O5S2 — CID 44595255

IUPAC3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N(Cc1ccc(F)cc1)Cc1ccccc1CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C34H26Cl4F2N2O5S2/c35-26-13-27(36)15-31(14-26)48(44,45)41(18-22-5-9-29(39)10-6-22)20-24-3-1-2-4-25(24)21-42(19-23-7-11-30(40)12-8-23)49(46,47)33-17-28(37)16-32(38)34(33)43/h1-17,43H,18-21H2
InChIKeyOCSRTRISUJYNJE-UHFFFAOYSA-N
MW786.53 g/mol
LogP9.07
Rot. Bonds12

About 3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide

3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide (PubChem CID 44595255) has the molecular formula C34H26Cl4F2N2O5S2 and a molecular weight of 786.53 g/mol. Its IUPAC name is 3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
PubChem CID44595255
Molecular FormulaC34H26Cl4F2N2O5S2
Molecular Weight786.53 g/mol
Exact Mass784.00
IUPAC Name3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N(Cc1ccc(F)cc1)Cc1ccccc1CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C34H26Cl4F2N2O5S2/c35-26-13-27(36)15-31(14-26)48(44,45)41(18-22-5-9-29(39)10-6-22)20-24-3-1-2-4-25(24)21-42(19-23-7-11-30(40)12-8-23)49(46,47)33-17-28(37)16-32(38)34(33)43/h1-17,43H,18-21H2
InChIKeyOCSRTRISUJYNJE-UHFFFAOYSA-N
XLogP9.07
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.53
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide (CID 44595255) is 3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide is O=S(=O)(c1cc(Cl)cc(Cl)c1)N(Cc1ccc(F)cc1)Cc1ccccc1CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide?
The InChIKey is OCSRTRISUJYNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26Cl4F2N2O5S2/c35-26-13-27(36)15-31(14-26)48(44,45)41(18-22-5-9-29(39)10-6-22)20-24-3-1-2-4-25(24)21-42(19-23-7-11-30(40)12-8-23)49(46,47)33-17-28(37)16-32(38)34(33)43/h1-17,43H,18-21H2.
What are the key properties of 3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide?
3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide has a molecular weight of 786.53 g/mol, XLogP of 9.07, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 44595255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).