4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide

C19H16N2O3S — CID 51284207

IUPAC4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C19H16N2O3S/c20-19(22)14-6-9-15(10-7-14)25(23,24)21-17-11-8-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11,21H,4-5H2,(H2,20,22)
InChIKeyTYLZZMJXCCMPKC-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.84
Rot. Bonds4

About 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide

4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide (PubChem CID 51284207) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide
PubChem CID51284207
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C19H16N2O3S/c20-19(22)14-6-9-15(10-7-14)25(23,24)21-17-11-8-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11,21H,4-5H2,(H2,20,22)
InChIKeyTYLZZMJXCCMPKC-UHFFFAOYSA-N
XLogP2.84
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 35951350
N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4534840
N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide
CID 18272105
N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide
CID 18125849
4-[(3-chloro-2-ethoxyphenyl)sulfamoyl]benzamide
CID 60578962
4-(1H-indazol-4-ylsulfamoyl)benzamide
CID 60524919
4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 51263313
4-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 60532248
methyl 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 112822553
2-(1,2-dihydroacenaphthylen-5-ylamino)acetate
CID 7312561
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide?
The IUPAC name of 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide (CID 51284207) is 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide?
The canonical SMILES for 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide is NC(=O)c1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1.
What is the InChIKey of 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide?
The InChIKey is TYLZZMJXCCMPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c20-19(22)14-6-9-15(10-7-14)25(23,24)21-17-11-8-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11,21H,4-5H2,(H2,20,22).
What are the key properties of 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide?
4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide has a molecular weight of 352.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide is sourced from PubChem (CID 51284207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).