N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide

C22H23NO4S — CID 18272105

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1OCC
InChIInChI=1S/C22H23NO4S/c1-3-26-20-13-11-17(14-21(20)27-4-2)28(24,25)23-19-12-10-16-9-8-15-6-5-7-18(19)22(15)16/h5-7,10-14,23H,3-4,8-9H2,1-2H3
InChIKeyAFQISBXOCDPHME-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.54
Rot. Bonds7

About N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide

N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide (PubChem CID 18272105) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide
PubChem CID18272105
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1OCC
InChIInChI=1S/C22H23NO4S/c1-3-26-20-13-11-17(14-21(20)27-4-2)28(24,25)23-19-12-10-16-9-8-15-6-5-7-18(19)22(15)16/h5-7,10-14,23H,3-4,8-9H2,1-2H3
InChIKeyAFQISBXOCDPHME-UHFFFAOYSA-N
XLogP4.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
CID 9055836
N-[2-[(2R)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055938
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055939
3,4-diethoxy-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60597563
4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide
CID 51284207
3,4-diethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 9030810
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide
CID 100820532
3,4-diethoxy-N-(3-iodophenyl)benzenesulfonamide
CID 27658180
3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 17481529
2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide
CID 9055880
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
3,4-diethoxy-N-(1H-indazol-7-yl)benzenesulfonamide
CID 24654006

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide (CID 18272105) is N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1OCC.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide?
The InChIKey is AFQISBXOCDPHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-3-26-20-13-11-17(14-21(20)27-4-2)28(24,25)23-19-12-10-16-9-8-15-6-5-7-18(19)22(15)16/h5-7,10-14,23H,3-4,8-9H2,1-2H3.
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide?
N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 18272105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).