N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide

C16H10BrF2NO2S — CID 3710218

IUPACN-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C16H10BrF2NO2S/c17-13-6-7-15(12-4-2-1-3-11(12)13)20-23(21,22)16-8-5-10(18)9-14(16)19/h1-9,20H
InChIKeyLJORIWPPSRXAHC-UHFFFAOYSA-N
MW398.23 g/mol
LogP4.68
Rot. Bonds3

About N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide

N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 3710218) has the molecular formula C16H10BrF2NO2S and a molecular weight of 398.23 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide
PubChem CID3710218
Molecular FormulaC16H10BrF2NO2S
Molecular Weight398.23 g/mol
Exact Mass396.96
IUPAC NameN-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C16H10BrF2NO2S/c17-13-6-7-15(12-4-2-1-3-11(12)13)20-23(21,22)16-8-5-10(18)9-14(16)19/h1-9,20H
InChIKeyLJORIWPPSRXAHC-UHFFFAOYSA-N
XLogP4.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide (CID 3710218) is N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)c2ccccc12)c1ccc(F)cc1F.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is LJORIWPPSRXAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2NO2S/c17-13-6-7-15(12-4-2-1-3-11(12)13)20-23(21,22)16-8-5-10(18)9-14(16)19/h1-9,20H.
What are the key properties of N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide?
N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 398.23 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 3710218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).