N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide

C20H16N2O4S — CID 4626592

IUPACN-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H16N2O4S/c23-22(24)20-8-4-2-6-15(20)13-27(25,26)21-17-9-10-19-16(12-17)11-14-5-1-3-7-18(14)19/h1-10,12,21H,11,13H2
InChIKeyIMNILSQXMFLUJG-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.11
Rot. Bonds5

About N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide

N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide (PubChem CID 4626592) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide
PubChem CID4626592
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC NameN-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H16N2O4S/c23-22(24)20-8-4-2-6-15(20)13-27(25,26)21-17-9-10-19-16(12-17)11-14-5-1-3-7-18(14)19/h1-10,12,21H,11,13H2
InChIKeyIMNILSQXMFLUJG-UHFFFAOYSA-N
XLogP4.11
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 3751776
N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 62022225
3-amino-N-(9H-fluoren-2-yl)propane-1-sulfonamide
CID 60910333
1-(2-nitrophenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanesulfonamide
CID 5159145
N-(9H-fluoren-2-yl)-4-fluorobenzenesulfonamide
CID 3457816
(E)-N-(9H-fluoren-2-yl)-2-phenylethenesulfonamide
CID 51109658
N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75456857
1-(2-nitrophenyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 3734550
N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75484910
N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 66185393
N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 25039055
1-(2-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 62946479

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide (CID 4626592) is N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide is O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide?
The InChIKey is IMNILSQXMFLUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c23-22(24)20-8-4-2-6-15(20)13-27(25,26)21-17-9-10-19-16(12-17)11-14-5-1-3-7-18(14)19/h1-10,12,21H,11,13H2.
What are the key properties of N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide?
N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 4626592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).