N-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide

C18H23NO2S — CID 10829310

IUPACN-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO2S/c1-14(2)22(20,21)19-13-15(3)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19H,13H2,1-3H3
InChIKeyPDRUOZVMCINFRV-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide

N-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide (PubChem CID 10829310) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is N-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide
PubChem CID10829310
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC NameN-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO2S/c1-14(2)22(20,21)19-13-15(3)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19H,13H2,1-3H3
InChIKeyPDRUOZVMCINFRV-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide (CID 10829310) is N-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide?
The InChIKey is PDRUOZVMCINFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-14(2)22(20,21)19-13-15(3)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19H,13H2,1-3H3.
What are the key properties of N-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide?
N-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide has a molecular weight of 317.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylphenyl)propyl]propane-2-sulfonamide is sourced from PubChem (CID 10829310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).