N-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide

C23H21NO2S — CID 102599782

IUPACN-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide
SMILESCc1ccc(C)c(-c2c(NS(C)(=O)=O)c3ccccc3c3ccccc23)c1
InChIInChI=1S/C23H21NO2S/c1-15-12-13-16(2)21(14-15)22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)23(22)24-27(3,25)26/h4-14,24H,1-3H3
InChIKeyNHDOHAAVGRLPSI-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.65
Rot. Bonds3

About N-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide

N-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide (PubChem CID 102599782) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide
PubChem CID102599782
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC NameN-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide
SMILESCc1ccc(C)c(-c2c(NS(C)(=O)=O)c3ccccc3c3ccccc23)c1
InChIInChI=1S/C23H21NO2S/c1-15-12-13-16(2)21(14-15)22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)23(22)24-27(3,25)26/h4-14,24H,1-3H3
InChIKeyNHDOHAAVGRLPSI-UHFFFAOYSA-N
XLogP5.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylnaphthalen-1-yl)methanesulfonamide
CID 1482866
ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
CID 143063933
9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123956480
N-[4-bromo-2-[2-[tert-butyl(diphenyl)silyl]oxy-5-methylphenyl]naphthalen-1-yl]methanesulfonamide
CID 102599785
7,12-bis(2,5-dimethylphenyl)-3-phenylbenzo[k]fluoranthene
CID 123722611
5,9-dimethylnaphtho[2,1-b][1]benzothiole 7-oxide
CID 59403811
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 849290
3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene
CID 140603460
N-(2-cyano-5-methylphenyl)methanesulfonamide
CID 67099534
sodium;hydride;N-(2-methylphenyl)methanesulfonamide
CID 173445438
1,3-dichloro-2-(2,5-dimethylphenyl)benzene
CID 66641397

Frequently Asked Questions

What is the IUPAC name of N-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide?
The IUPAC name of N-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide (CID 102599782) is N-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide.
What is the SMILES notation for N-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide?
The canonical SMILES for N-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide is Cc1ccc(C)c(-c2c(NS(C)(=O)=O)c3ccccc3c3ccccc23)c1.
What is the InChIKey of N-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide?
The InChIKey is NHDOHAAVGRLPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-15-12-13-16(2)21(14-15)22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)23(22)24-27(3,25)26/h4-14,24H,1-3H3.
What are the key properties of N-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide?
N-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-(2,5-dimethylphenyl)phenanthren-9-yl]methanesulfonamide is sourced from PubChem (CID 102599782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).