N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide

C25H36F2N2O4S2 — CID 90121629

IUPACN,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide
SMILESCCCCCCN(c1ccc(F)cc1)S(=O)(=O)CS(=O)(=O)N(CCCCCC)c1ccc(F)cc1
InChIInChI=1S/C25H36F2N2O4S2/c1-3-5-7-9-19-28(24-15-11-22(26)12-16-24)34(30,31)21-35(32,33)29(20-10-8-6-4-2)25-17-13-23(27)14-18-25/h11-18H,3-10,19-21H2,1-2H3
InChIKeyRZUFNCUBTBSLLO-UHFFFAOYSA-N
MW530.70 g/mol
LogP6.06
Rot. Bonds16

About N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide

N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide (PubChem CID 90121629) has the molecular formula C25H36F2N2O4S2 and a molecular weight of 530.70 g/mol. Its IUPAC name is N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide.

Molecular Properties

Compound NameN,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide
PubChem CID90121629
Molecular FormulaC25H36F2N2O4S2
Molecular Weight530.70 g/mol
Exact Mass530.21
IUPAC NameN,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide
SMILESCCCCCCN(c1ccc(F)cc1)S(=O)(=O)CS(=O)(=O)N(CCCCCC)c1ccc(F)cc1
InChIInChI=1S/C25H36F2N2O4S2/c1-3-5-7-9-19-28(24-15-11-22(26)12-16-24)34(30,31)21-35(32,33)29(20-10-8-6-4-2)25-17-13-23(27)14-18-25/h11-18H,3-10,19-21H2,1-2H3
InChIKeyRZUFNCUBTBSLLO-UHFFFAOYSA-N
XLogP6.06
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.70
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N,N-dioctylaniline
CID 91747748
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
(4-chlorophenyl)-octadecylsulfamic acid
CID 173322232
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
N,N-dibutyl-4-fluoroaniline
CID 15399711
N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
CID 43136264
N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide
CID 60859587
N-butyl-4-fluoro-N-methylaniline
CID 70573878
N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide
CID 118986815
2-(4-fluoro-N-pentylanilino)acetamide
CID 57125952
N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
CID 63233678
N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide?
The IUPAC name of N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide (CID 90121629) is N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide.
What is the SMILES notation for N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide?
The canonical SMILES for N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide is CCCCCCN(c1ccc(F)cc1)S(=O)(=O)CS(=O)(=O)N(CCCCCC)c1ccc(F)cc1.
What is the InChIKey of N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide?
The InChIKey is RZUFNCUBTBSLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F2N2O4S2/c1-3-5-7-9-19-28(24-15-11-22(26)12-16-24)34(30,31)21-35(32,33)29(20-10-8-6-4-2)25-17-13-23(27)14-18-25/h11-18H,3-10,19-21H2,1-2H3.
What are the key properties of N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide?
N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide has a molecular weight of 530.70 g/mol, XLogP of 6.06, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide is sourced from PubChem (CID 90121629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).