N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide

C23H29FN2O3S — CID 57258515

IUPACN-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(F)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C23H29FN2O3S/c1-3-16-30(28,29)25-17-23(2,24)21-12-10-19(11-13-21)18-6-8-20(9-7-18)22(27)26-14-4-5-15-26/h6-13,25H,3-5,14-17H2,1-2H3
InChIKeySYQNIPMUHVZYLN-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.10
Rot. Bonds8

About N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide

N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide (PubChem CID 57258515) has the molecular formula C23H29FN2O3S and a molecular weight of 432.56 g/mol. Its IUPAC name is N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide
PubChem CID57258515
Molecular FormulaC23H29FN2O3S
Molecular Weight432.56 g/mol
Exact Mass432.19
IUPAC NameN-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(F)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C23H29FN2O3S/c1-3-16-30(28,29)25-17-23(2,24)21-12-10-19(11-13-21)18-6-8-20(9-7-18)22(27)26-14-4-5-15-26/h6-13,25H,3-5,14-17H2,1-2H3
InChIKeySYQNIPMUHVZYLN-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide?
The IUPAC name of N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide (CID 57258515) is N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)(F)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide?
The InChIKey is SYQNIPMUHVZYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3S/c1-3-16-30(28,29)25-17-23(2,24)21-12-10-19(11-13-21)18-6-8-20(9-7-18)22(27)26-14-4-5-15-26/h6-13,25H,3-5,14-17H2,1-2H3.
What are the key properties of N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide?
N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide has a molecular weight of 432.56 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide is sourced from PubChem (CID 57258515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).