2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide

C25H30N2O5S2 — CID 172697362

IUPAC2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide
SMILESO=C1c2cc(S(=O)(=O)NCC3CCCC3)ccc2-c2ccc(S(=O)(=O)NCC3CCCC3)cc21
InChIInChI=1S/C25H30N2O5S2/c28-25-23-13-19(33(29,30)26-15-17-5-1-2-6-17)9-11-21(23)22-12-10-20(14-24(22)25)34(31,32)27-16-18-7-3-4-8-18/h9-14,17-18,26-27H,1-8,15-16H2
InChIKeyCMNPHAFJXOPXLZ-UHFFFAOYSA-N
MW502.66 g/mol
LogP3.84
Rot. Bonds8

About 2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide

2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide (PubChem CID 172697362) has the molecular formula C25H30N2O5S2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide
PubChem CID172697362
Molecular FormulaC25H30N2O5S2
Molecular Weight502.66 g/mol
Exact Mass502.16
IUPAC Name2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide
SMILESO=C1c2cc(S(=O)(=O)NCC3CCCC3)ccc2-c2ccc(S(=O)(=O)NCC3CCCC3)cc21
InChIInChI=1S/C25H30N2O5S2/c28-25-23-13-19(33(29,30)26-15-17-5-1-2-6-17)9-11-21(23)22-12-10-20(14-24(22)25)34(31,32)27-16-18-7-3-4-8-18/h9-14,17-18,26-27H,1-8,15-16H2
InChIKeyCMNPHAFJXOPXLZ-UHFFFAOYSA-N
XLogP3.84
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide
CID 165385489
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
CID 43371192
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
CID 43091618
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
CID 106833028
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110627587

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide (CID 172697362) is 2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide is O=C1c2cc(S(=O)(=O)NCC3CCCC3)ccc2-c2ccc(S(=O)(=O)NCC3CCCC3)cc21.
What is the InChIKey of 2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide?
The InChIKey is CMNPHAFJXOPXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5S2/c28-25-23-13-19(33(29,30)26-15-17-5-1-2-6-17)9-11-21(23)22-12-10-20(14-24(22)25)34(31,32)27-16-18-7-3-4-8-18/h9-14,17-18,26-27H,1-8,15-16H2.
What are the key properties of 2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide?
2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide has a molecular weight of 502.66 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide is sourced from PubChem (CID 172697362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).