2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide

C22H14Br2F2N2O4S2 — CID 154653254

IUPAC2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)c2ccccc12)c1ccc(F)cc1Br
InChIInChI=1S/C22H14Br2F2N2O4S2/c23-17-11-13(25)5-9-21(17)33(29,30)27-19-7-8-20(16-4-2-1-3-15(16)19)28-34(31,32)22-10-6-14(26)12-18(22)24/h1-12,27-28H
InChIKeyFNNWNRZXDXSOBT-UHFFFAOYSA-N
MW632.30 g/mol
LogP6.24
Rot. Bonds6

About 2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide

2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide (PubChem CID 154653254) has the molecular formula C22H14Br2F2N2O4S2 and a molecular weight of 632.30 g/mol. Its IUPAC name is 2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
PubChem CID154653254
Molecular FormulaC22H14Br2F2N2O4S2
Molecular Weight632.30 g/mol
Exact Mass629.87
IUPAC Name2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)c2ccccc12)c1ccc(F)cc1Br
InChIInChI=1S/C22H14Br2F2N2O4S2/c23-17-11-13(25)5-9-21(17)33(29,30)27-19-7-8-20(16-4-2-1-3-15(16)19)28-34(31,32)22-10-6-14(26)12-18(22)24/h1-12,27-28H
InChIKeyFNNWNRZXDXSOBT-UHFFFAOYSA-N
XLogP6.24
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.30
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 47309798
N-[2-(aminomethyl)phenyl]-2-bromo-4-fluorobenzenesulfonamide
CID 64895248
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide
CID 3875086
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide
CID 62871190
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide
CID 61063205

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide (CID 154653254) is 2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)c2ccccc12)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide?
The InChIKey is FNNWNRZXDXSOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2F2N2O4S2/c23-17-11-13(25)5-9-21(17)33(29,30)27-19-7-8-20(16-4-2-1-3-15(16)19)28-34(31,32)22-10-6-14(26)12-18(22)24/h1-12,27-28H.
What are the key properties of 2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide?
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide has a molecular weight of 632.30 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 154653254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).