N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide

C24H20BrNO2S — CID 44550989

IUPACN,N-dibenzyl-7-bromonaphthalene-2-sulfonamide
SMILESO=S(=O)(c1ccc2ccc(Br)cc2c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H20BrNO2S/c25-23-13-11-21-12-14-24(16-22(21)15-23)29(27,28)26(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyDLRTVGWISWLULC-UHFFFAOYSA-N
MW466.40 g/mol
LogP5.99
Rot. Bonds6

About N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide

N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide (PubChem CID 44550989) has the molecular formula C24H20BrNO2S and a molecular weight of 466.40 g/mol. Its IUPAC name is N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-7-bromonaphthalene-2-sulfonamide
PubChem CID44550989
Molecular FormulaC24H20BrNO2S
Molecular Weight466.40 g/mol
Exact Mass465.04
IUPAC NameN,N-dibenzyl-7-bromonaphthalene-2-sulfonamide
SMILESO=S(=O)(c1ccc2ccc(Br)cc2c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H20BrNO2S/c25-23-13-11-21-12-14-24(16-22(21)15-23)29(27,28)26(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyDLRTVGWISWLULC-UHFFFAOYSA-N
XLogP5.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.40
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate
CID 44549141
2-[benzyl-(4-bromophenyl)sulfonylamino]acetate
CID 7317037
3-[benzyl-(4-bromophenyl)sulfonylamino]propanoic acid
CID 45472537
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
CID 59826387
N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide
CID 3930265
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358
2-[3-[[naphthalen-2-ylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenoxy]acetic acid
CID 177380860
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-ethylacetamide
CID 3136902
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide?
The IUPAC name of N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide (CID 44550989) is N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide.
What is the SMILES notation for N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide?
The canonical SMILES for N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide is O=S(=O)(c1ccc2ccc(Br)cc2c1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide?
The InChIKey is DLRTVGWISWLULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO2S/c25-23-13-11-21-12-14-24(16-22(21)15-23)29(27,28)26(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-16H,17-18H2.
What are the key properties of N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide?
N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide has a molecular weight of 466.40 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide is sourced from PubChem (CID 44550989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).