5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide

C24H26F2N4O3S — CID 34452289

IUPAC5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n(C)c1
InChIInChI=1S/C24H26F2N4O3S/c1-27-34(32,33)21-15-22(28(2)16-21)24(31)30-13-11-29(12-14-30)23(17-3-7-19(25)8-4-17)18-5-9-20(26)10-6-18/h3-10,15-16,23,27H,11-14H2,1-2H3
InChIKeyCIVSJGYUZMWSRX-UHFFFAOYSA-N
MW488.56 g/mol
LogP2.76
Rot. Bonds6

About 5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide

5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide (PubChem CID 34452289) has the molecular formula C24H26F2N4O3S and a molecular weight of 488.56 g/mol. Its IUPAC name is 5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
PubChem CID34452289
Molecular FormulaC24H26F2N4O3S
Molecular Weight488.56 g/mol
Exact Mass488.17
IUPAC Name5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n(C)c1
InChIInChI=1S/C24H26F2N4O3S/c1-27-34(32,33)21-15-22(28(2)16-21)24(31)30-13-11-29(12-14-30)23(17-3-7-19(25)8-4-17)18-5-9-20(26)10-6-18/h3-10,15-16,23,27H,11-14H2,1-2H3
InChIKeyCIVSJGYUZMWSRX-UHFFFAOYSA-N
XLogP2.76
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide
CID 55815802
3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-ethylbenzenesulfonamide
CID 29218312
N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide
CID 35787554
5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
CID 66291736
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide
CID 32621051
3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 98381430
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119830290
methyl 4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzoate
CID 24550836
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92767649
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(2-tert-butyl-5-methylpyrazol-3-yl)methanone
CID 42691706
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
CID 171683426

Frequently Asked Questions

What is the IUPAC name of 5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide?
The IUPAC name of 5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide (CID 34452289) is 5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for 5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n(C)c1.
What is the InChIKey of 5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide?
The InChIKey is CIVSJGYUZMWSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3S/c1-27-34(32,33)21-15-22(28(2)16-21)24(31)30-13-11-29(12-14-30)23(17-3-7-19(25)8-4-17)18-5-9-20(26)10-6-18/h3-10,15-16,23,27H,11-14H2,1-2H3.
What are the key properties of 5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide?
5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide has a molecular weight of 488.56 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 34452289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).