N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide

C23H22N2O2S — CID 1314014

IUPACN-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H22N2O2S/c26-28(27,24-19-7-5-8-20(16-19)25-12-3-4-13-25)21-10-11-23-18(15-21)14-17-6-1-2-9-22(17)23/h1-2,5-11,15-16,24H,3-4,12-14H2
InChIKeyMTQJAGPUYZQOGM-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.66
Rot. Bonds4

About N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide

N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide (PubChem CID 1314014) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide
PubChem CID1314014
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H22N2O2S/c26-28(27,24-19-7-5-8-20(16-19)25-12-3-4-13-25)21-10-11-23-18(15-21)14-17-6-1-2-9-22(17)23/h1-2,5-11,15-16,24H,3-4,12-14H2
InChIKeyMTQJAGPUYZQOGM-UHFFFAOYSA-N
XLogP4.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110361647
N-(9H-fluoren-2-yl)-4-fluorobenzenesulfonamide
CID 3457816
4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362146
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
CID 75370822
N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7636293
N-(9H-fluoren-3-yl)-4-fluorobenzenesulfonamide
CID 25331334
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
N-(9H-fluoren-2-yl)-4-methoxybenzenesulfonamide
CID 3775987
4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110426248
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide
CID 3128176
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide?
The IUPAC name of N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide (CID 1314014) is N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide is O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide?
The InChIKey is MTQJAGPUYZQOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-28(27,24-19-7-5-8-20(16-19)25-12-3-4-13-25)21-10-11-23-18(15-21)14-17-6-1-2-9-22(17)23/h1-2,5-11,15-16,24H,3-4,12-14H2.
What are the key properties of N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide?
N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide is sourced from PubChem (CID 1314014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).