N-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide

C19H24FNO2S — CID 10617783

IUPACN-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C19H24FNO2S/c1-3-4-13-24(22,23)21-14-15(2)16-9-11-17(12-10-16)18-7-5-6-8-19(18)20/h5-12,15,21H,3-4,13-14H2,1-2H3
InChIKeyCVDWIPBTNXEZHS-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.32
Rot. Bonds8

About N-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide

N-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide (PubChem CID 10617783) has the molecular formula C19H24FNO2S and a molecular weight of 349.47 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide
PubChem CID10617783
Molecular FormulaC19H24FNO2S
Molecular Weight349.47 g/mol
Exact Mass349.15
IUPAC NameN-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C19H24FNO2S/c1-3-4-13-24(22,23)21-14-15(2)16-9-11-17(12-10-16)18-7-5-6-8-19(18)20/h5-12,15,21H,3-4,13-14H2,1-2H3
InChIKeyCVDWIPBTNXEZHS-UHFFFAOYSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide (CID 10617783) is N-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC(C)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide?
The InChIKey is CVDWIPBTNXEZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2S/c1-3-4-13-24(22,23)21-14-15(2)16-9-11-17(12-10-16)18-7-5-6-8-19(18)20/h5-12,15,21H,3-4,13-14H2,1-2H3.
What are the key properties of N-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide?
N-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide has a molecular weight of 349.47 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)phenyl]propyl]butane-1-sulfonamide is sourced from PubChem (CID 10617783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).