N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide

C19H16BrNO3S — CID 3404538

IUPACN-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCc1cc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)ccc1Br
InChIInChI=1S/C19H16BrNO3S/c1-13-10-16(7-9-18(13)20)21-19(22)12-25(23,24)17-8-6-14-4-2-3-5-15(14)11-17/h2-11H,12H2,1H3,(H,21,22)
InChIKeyBOZUTDBMZXRMFB-UHFFFAOYSA-N
MW418.31 g/mol
LogP4.32
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide

N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide (PubChem CID 3404538) has the molecular formula C19H16BrNO3S and a molecular weight of 418.31 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide
PubChem CID3404538
Molecular FormulaC19H16BrNO3S
Molecular Weight418.31 g/mol
Exact Mass417.00
IUPAC NameN-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCc1cc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)ccc1Br
InChIInChI=1S/C19H16BrNO3S/c1-13-10-16(7-9-18(13)20)21-19(22)12-25(23,24)17-8-6-14-4-2-3-5-15(14)11-17/h2-11H,12H2,1H3,(H,21,22)
InChIKeyBOZUTDBMZXRMFB-UHFFFAOYSA-N
XLogP4.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide
CID 3938895
N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 4046357
N-(3-fluorophenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3925269
N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3892636
N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174629
N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide
CID 1041797
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126035125
N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide
CID 4058006
N-(4-bromo-3-methylphenyl)-2-quinolin-6-yloxyacetamide
CID 112978729
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-(4-bromo-3-methylphenyl)acetamide
CID 1337086
N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-naphthalen-2-ylsulfonylacetamide
CID 4016428

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide (CID 3404538) is N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide is Cc1cc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide?
The InChIKey is BOZUTDBMZXRMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3S/c1-13-10-16(7-9-18(13)20)21-19(22)12-25(23,24)17-8-6-14-4-2-3-5-15(14)11-17/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide?
N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide has a molecular weight of 418.31 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide is sourced from PubChem (CID 3404538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).