N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide

C20H27NO2S — CID 174487489

IUPACN-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)c1ccc(-c2ccc(CC)cc2)cc1
InChIInChI=1S/C20H27NO2S/c1-4-14-24(22,23)21-15-16(3)18-10-12-20(13-11-18)19-8-6-17(5-2)7-9-19/h6-13,16,21H,4-5,14-15H2,1-3H3
InChIKeyWHYOGOIQZDMRSN-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.35
Rot. Bonds8

About N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide

N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide (PubChem CID 174487489) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide
PubChem CID174487489
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC NameN-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)c1ccc(-c2ccc(CC)cc2)cc1
InChIInChI=1S/C20H27NO2S/c1-4-14-24(22,23)21-15-16(3)18-10-12-20(13-11-18)19-8-6-17(5-2)7-9-19/h6-13,16,21H,4-5,14-15H2,1-3H3
InChIKeyWHYOGOIQZDMRSN-UHFFFAOYSA-N
XLogP4.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide (CID 174487489) is N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)c1ccc(-c2ccc(CC)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide?
The InChIKey is WHYOGOIQZDMRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-4-14-24(22,23)21-15-16(3)18-10-12-20(13-11-18)19-8-6-17(5-2)7-9-19/h6-13,16,21H,4-5,14-15H2,1-3H3.
What are the key properties of N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide?
N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide has a molecular weight of 345.51 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide is sourced from PubChem (CID 174487489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).