N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide

C23H19NO2S — CID 21210486

IUPACN-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc2cccc3c2c1CCC3
InChIInChI=1S/C23H19NO2S/c25-27(26,24-21-13-5-7-16-6-1-2-11-19(16)21)22-15-14-18-9-3-8-17-10-4-12-20(22)23(17)18/h1-3,5-9,11,13-15,24H,4,10,12H2
InChIKeyMUDNDDLAEGSVNZ-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.28
Rot. Bonds3

About N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide

N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide (PubChem CID 21210486) has the molecular formula C23H19NO2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide
PubChem CID21210486
Molecular FormulaC23H19NO2S
Molecular Weight373.48 g/mol
Exact Mass373.11
IUPAC NameN-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc2cccc3c2c1CCC3
InChIInChI=1S/C23H19NO2S/c25-27(26,24-21-13-5-7-16-6-1-2-11-19(16)21)22-15-14-18-9-3-8-17-10-4-12-20(22)23(17)18/h1-3,5-9,11,13-15,24H,4,10,12H2
InChIKeyMUDNDDLAEGSVNZ-UHFFFAOYSA-N
XLogP5.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 8834385
pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5,7,9,12,14,16-nonaene
CID 3063315
2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
CID 70133318
1,2-dihydroacenaphthylene-3-sulfonyl chloride
CID 121008066
2,3-dihydro-1H-benzo[a]phenalene
CID 6427872
potassium 1,2-dihydroacenaphthylene-3-sulfonate
CID 146050724
N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide
CID 18125849
N-naphthalen-1-yl-2-nitrobenzenesulfonamide
CID 681787
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
pyrene-1-sulfonic acid;1,2,3,4-tetrahydrochrysene
CID 174280947
3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
CID 30285558
N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide
CID 100820567

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide?
The IUPAC name of N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide (CID 21210486) is N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide.
What is the SMILES notation for N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide?
The canonical SMILES for N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide is O=S(=O)(Nc1cccc2ccccc12)c1ccc2cccc3c2c1CCC3.
What is the InChIKey of N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide?
The InChIKey is MUDNDDLAEGSVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2S/c25-27(26,24-21-13-5-7-16-6-1-2-11-19(16)21)22-15-14-18-9-3-8-17-10-4-12-20(22)23(17)18/h1-3,5-9,11,13-15,24H,4,10,12H2.
What are the key properties of N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide?
N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide is sourced from PubChem (CID 21210486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).