N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide

C21H18BrNO3S — CID 16581972

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(Br)cc2)o1)C1=Cc2ccccc2CC1
InChIInChI=1S/C21H18BrNO3S/c22-18-8-5-16(6-9-18)21-12-10-19(26-21)14-23-27(24,25)20-11-7-15-3-1-2-4-17(15)13-20/h1-6,8-10,12-13,23H,7,11,14H2
InChIKeyARQIGGRMDMYAOD-UHFFFAOYSA-N
MW444.35 g/mol
LogP5.12
Rot. Bonds5

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 16581972) has the molecular formula C21H18BrNO3S and a molecular weight of 444.35 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID16581972
Molecular FormulaC21H18BrNO3S
Molecular Weight444.35 g/mol
Exact Mass443.02
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(Br)cc2)o1)C1=Cc2ccccc2CC1
InChIInChI=1S/C21H18BrNO3S/c22-18-8-5-16(6-9-18)21-12-10-19(26-21)14-23-27(24,25)20-11-7-15-3-1-2-4-17(15)13-20/h1-6,8-10,12-13,23H,7,11,14H2
InChIKeyARQIGGRMDMYAOD-UHFFFAOYSA-N
XLogP5.12
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.35
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 18197798
5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581155
N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 16575083
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate
CID 39912433
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide
CID 17335196
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
CID 9204118
N-cyclohexyl-3,4-dihydronaphthalene-2-sulfonamide
CID 18190615
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 18190358

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide (CID 16581972) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide is O=S(=O)(NCc1ccc(-c2ccc(Br)cc2)o1)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is ARQIGGRMDMYAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO3S/c22-18-8-5-16(6-9-18)21-12-10-19(26-21)14-23-27(24,25)20-11-7-15-3-1-2-4-17(15)13-20/h1-6,8-10,12-13,23H,7,11,14H2.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 444.35 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 16581972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).