N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide

C17H11BrF3NO2S — CID 3562603

IUPACN-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c2ccccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11BrF3NO2S/c18-15-8-9-16(14-7-2-1-6-13(14)15)22-25(23,24)12-5-3-4-11(10-12)17(19,20)21/h1-10,22H
InChIKeyLFUGUUMDCTZXKQ-UHFFFAOYSA-N
MW430.25 g/mol
LogP5.42
Rot. Bonds3

About N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3562603) has the molecular formula C17H11BrF3NO2S and a molecular weight of 430.25 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3562603
Molecular FormulaC17H11BrF3NO2S
Molecular Weight430.25 g/mol
Exact Mass428.96
IUPAC NameN-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c2ccccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11BrF3NO2S/c18-15-8-9-16(14-7-2-1-6-13(14)15)22-25(23,24)12-5-3-4-11(10-12)17(19,20)21/h1-10,22H
InChIKeyLFUGUUMDCTZXKQ-UHFFFAOYSA-N
XLogP5.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.25
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide
CID 3865919
N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3729383
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536122
N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 52838841
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide
CID 3666979
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3800442
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 162582675
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 24580638

Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 3562603) is N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Br)c2ccccc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LFUGUUMDCTZXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF3NO2S/c18-15-8-9-16(14-7-2-1-6-13(14)15)22-25(23,24)12-5-3-4-11(10-12)17(19,20)21/h1-10,22H.
What are the key properties of N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 430.25 g/mol, XLogP of 5.42, 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)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3562603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).