N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide

C26H26FN3O4S — CID 29196262

IUPACN-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H26FN3O4S/c27-19-9-11-20(12-10-19)35(32,33)30-17-15-29(16-18-30)14-13-28-26(31)25-21-5-1-3-7-23(21)34-24-8-4-2-6-22(24)25/h1-12,25H,13-18H2,(H,28,31)
InChIKeyMPTWGXGMYXVIGW-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.19
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide

N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide (PubChem CID 29196262) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide
PubChem CID29196262
Molecular FormulaC26H26FN3O4S
Molecular Weight495.58 g/mol
Exact Mass495.16
IUPAC NameN-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H26FN3O4S/c27-19-9-11-20(12-10-19)35(32,33)30-17-15-29(16-18-30)14-13-28-26(31)25-21-5-1-3-7-23(21)34-24-8-4-2-6-22(24)25/h1-12,25H,13-18H2,(H,28,31)
InChIKeyMPTWGXGMYXVIGW-UHFFFAOYSA-N
XLogP3.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide (CID 29196262) is N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide is O=C(NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide?
The InChIKey is MPTWGXGMYXVIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c27-19-9-11-20(12-10-19)35(32,33)30-17-15-29(16-18-30)14-13-28-26(31)25-21-5-1-3-7-23(21)34-24-8-4-2-6-22(24)25/h1-12,25H,13-18H2,(H,28,31).
What are the key properties of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide?
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 29196262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).