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

C27H34N2O5S2 — CID 136590042

IUPAC2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
SMILESO=C1c2cc(S(=O)(=O)NCC3CCCCC3)ccc2-c2ccc(S(=O)(=O)NCC3CCCCC3)cc21
InChIInChI=1S/C27H34N2O5S2/c30-27-25-15-21(35(31,32)28-17-19-7-3-1-4-8-19)11-13-23(25)24-14-12-22(16-26(24)27)36(33,34)29-18-20-9-5-2-6-10-20/h11-16,19-20,28-29H,1-10,17-18H2
InChIKeyNNPBYGFKLPGBOD-UHFFFAOYSA-N
MW530.71 g/mol
LogP4.62
Rot. Bonds8

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

2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide (PubChem CID 136590042) has the molecular formula C27H34N2O5S2 and a molecular weight of 530.71 g/mol. Its IUPAC name is 2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
PubChem CID136590042
Molecular FormulaC27H34N2O5S2
Molecular Weight530.71 g/mol
Exact Mass530.19
IUPAC Name2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
SMILESO=C1c2cc(S(=O)(=O)NCC3CCCCC3)ccc2-c2ccc(S(=O)(=O)NCC3CCCCC3)cc21
InChIInChI=1S/C27H34N2O5S2/c30-27-25-15-21(35(31,32)28-17-19-7-3-1-4-8-19)11-13-23(25)24-14-12-22(16-26(24)27)36(33,34)29-18-20-9-5-2-6-10-20/h11-16,19-20,28-29H,1-10,17-18H2
InChIKeyNNPBYGFKLPGBOD-UHFFFAOYSA-N
XLogP4.62
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.71
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 172697362
2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide
CID 165385489
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
CID 43091618
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
CID 43371192
methyl 5-(cyclohexylmethylsulfamoyl)-2-methylbenzoate
CID 100566433

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide (CID 136590042) is 2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide is O=C1c2cc(S(=O)(=O)NCC3CCCCC3)ccc2-c2ccc(S(=O)(=O)NCC3CCCCC3)cc21.
What is the InChIKey of 2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide?
The InChIKey is NNPBYGFKLPGBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5S2/c30-27-25-15-21(35(31,32)28-17-19-7-3-1-4-8-19)11-13-23(25)24-14-12-22(16-26(24)27)36(33,34)29-18-20-9-5-2-6-10-20/h11-16,19-20,28-29H,1-10,17-18H2.
What are the key properties of 2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide?
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide has a molecular weight of 530.71 g/mol, XLogP of 4.62, 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(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide is sourced from PubChem (CID 136590042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).