[(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium

C22H25N2O2S+ — CID 7014367

IUPAC[(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium
SMILESCC[NH+](CC)[C@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H24N2O2S/c1-3-24(4-2)22-19-15-9-11-16-10-8-14-18(20(16)19)21(22)23-27(25,26)17-12-6-5-7-13-17/h5-15,21-23H,3-4H2,1-2H3/p+1/t21-,22-/m0/s1
InChIKeyNPKQMNSCEOXHMN-VXKWHMMOSA-O
MW381.52 g/mol
LogP2.84
Rot. Bonds6

About [(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium

[(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium (PubChem CID 7014367) has the molecular formula C22H25N2O2S+ and a molecular weight of 381.52 g/mol. Its IUPAC name is [(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium.

Molecular Properties

Compound Name[(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium
PubChem CID7014367
Molecular FormulaC22H25N2O2S+
Molecular Weight381.52 g/mol
Exact Mass381.16
IUPAC Name[(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium
SMILESCC[NH+](CC)[C@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H24N2O2S/c1-3-24(4-2)22-19-15-9-11-16-10-8-14-18(20(16)19)21(22)23-27(25,26)17-12-6-5-7-13-17/h5-15,21-23H,3-4H2,1-2H3/p+1/t21-,22-/m0/s1
InChIKeyNPKQMNSCEOXHMN-VXKWHMMOSA-O
XLogP2.84
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-(diethylamino)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
CID 7014374
N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
CID 7126086
N-[(1S,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
CID 7126087
[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]-1,2-dihydroacenaphthylen-1-yl]-dimethylazanium
CID 7324622
N-[(1R,2R)-2-morpholin-4-ium-4-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
CID 6972175
N-[(1R,2S)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
CID 1167604
4-chloro-N-[2-(dimethylamino)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
CID 2898123
N-[(1S,2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
CID 2345278
4-chloro-N-[(1R,2R)-2-pyrimidin-2-ylsulfanyl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
CID 1167663
N-[(1S,2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
CID 2345268
N-[(1S,2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,2-dihydroacenaphthylen-1-yl]-4-methylbenzenesulfonamide
CID 2345235
4-[2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-N-phenylpiperazine-1-carbothioamide
CID 3792361

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium?
The IUPAC name of [(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium (CID 7014367) is [(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium.
What is the SMILES notation for [(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium?
The canonical SMILES for [(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium is CC[NH+](CC)[C@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccccc1.
What is the InChIKey of [(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium?
The InChIKey is NPKQMNSCEOXHMN-VXKWHMMOSA-O. The full InChI is InChI=1S/C22H24N2O2S/c1-3-24(4-2)22-19-15-9-11-16-10-8-14-18(20(16)19)21(22)23-27(25,26)17-12-6-5-7-13-17/h5-15,21-23H,3-4H2,1-2H3/p+1/t21-,22-/m0/s1.
What are the key properties of [(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium?
[(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium has a molecular weight of 381.52 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-diethylazanium is sourced from PubChem (CID 7014367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).