2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide

C39H32N2O4S2 — CID 3125889

IUPAC2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide
SMILESO=S(=O)(c1ccc2c(c1)Cc1cc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)ccc1-2)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C39H32N2O4S2/c42-46(43,40(34-17-9-3-10-18-34)28-30-13-5-1-6-14-30)36-21-23-38-32(26-36)25-33-27-37(22-24-39(33)38)47(44,45)41(35-19-11-4-12-20-35)29-31-15-7-2-8-16-31/h1-24,26-27H,25,28-29H2
InChIKeyPGNGZWBRZIVEJZ-UHFFFAOYSA-N
MW656.83 g/mol
LogP8.05
Rot. Bonds10

About 2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide

2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide (PubChem CID 3125889) has the molecular formula C39H32N2O4S2 and a molecular weight of 656.83 g/mol. Its IUPAC name is 2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide
PubChem CID3125889
Molecular FormulaC39H32N2O4S2
Molecular Weight656.83 g/mol
Exact Mass656.18
IUPAC Name2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide
SMILESO=S(=O)(c1ccc2c(c1)Cc1cc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)ccc1-2)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C39H32N2O4S2/c42-46(43,40(34-17-9-3-10-18-34)28-30-13-5-1-6-14-30)36-21-23-38-32(26-36)25-33-27-37(22-24-39(33)38)47(44,45)41(35-19-11-4-12-20-35)29-31-15-7-2-8-16-31/h1-24,26-27H,25,28-29H2
InChIKeyPGNGZWBRZIVEJZ-UHFFFAOYSA-N
XLogP8.05
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3,5-dinitro-N-phenylbenzenesulfonamide
CID 23206295
N-benzyl-4-chloro-3-(dihydroxymethyl)-N-phenylbenzenesulfonamide
CID 90688111
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
N-benzyl-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56587385
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide
CID 22202594
N-benzyl-N-(4-bromophenyl)-3-methylbenzenesulfonamide
CID 46022840
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
N-benzyl-N-(3-bromophenyl)-4-chlorobenzenesulfonamide
CID 46021781
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide (CID 3125889) is 2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide is O=S(=O)(c1ccc2c(c1)Cc1cc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)ccc1-2)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide?
The InChIKey is PGNGZWBRZIVEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N2O4S2/c42-46(43,40(34-17-9-3-10-18-34)28-30-13-5-1-6-14-30)36-21-23-38-32(26-36)25-33-27-37(22-24-39(33)38)47(44,45)41(35-19-11-4-12-20-35)29-31-15-7-2-8-16-31/h1-24,26-27H,25,28-29H2.
What are the key properties of 2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide?
2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide has a molecular weight of 656.83 g/mol, XLogP of 8.05, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-dibenzyl-2-N,7-N-diphenyl-9H-fluorene-2,7-disulfonamide is sourced from PubChem (CID 3125889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).