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

C19H25NO2S — CID 10853988

IUPACN-[2-[4-(4-methylphenyl)phenyl]propyl]propane-2-sulfonamide
SMILESCc1ccc(-c2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C19H25NO2S/c1-14(2)23(21,22)20-13-16(4)17-9-11-19(12-10-17)18-7-5-15(3)6-8-18/h5-12,14,16,20H,13H2,1-4H3
InChIKeyRUUZZUDVROZFOP-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.09
Rot. Bonds6

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

N-[2-[4-(4-methylphenyl)phenyl]propyl]propane-2-sulfonamide (PubChem CID 10853988) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)phenyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenyl)phenyl]propyl]propane-2-sulfonamide
PubChem CID10853988
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC NameN-[2-[4-(4-methylphenyl)phenyl]propyl]propane-2-sulfonamide
SMILESCc1ccc(-c2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C19H25NO2S/c1-14(2)23(21,22)20-13-16(4)17-9-11-19(12-10-17)18-7-5-15(3)6-8-18/h5-12,14,16,20H,13H2,1-4H3
InChIKeyRUUZZUDVROZFOP-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.09
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-methylphenyl)phenyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-(4-methylphenyl)phenyl]propyl]propane-2-sulfonamide (CID 10853988) is N-[2-[4-(4-methylphenyl)phenyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-methylphenyl)phenyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-(4-methylphenyl)phenyl]propyl]propane-2-sulfonamide is Cc1ccc(-c2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-methylphenyl)phenyl]propyl]propane-2-sulfonamide?
The InChIKey is RUUZZUDVROZFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-14(2)23(21,22)20-13-16(4)17-9-11-19(12-10-17)18-7-5-15(3)6-8-18/h5-12,14,16,20H,13H2,1-4H3.
What are the key properties of N-[2-[4-(4-methylphenyl)phenyl]propyl]propane-2-sulfonamide?
N-[2-[4-(4-methylphenyl)phenyl]propyl]propane-2-sulfonamide has a molecular weight of 331.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenyl)phenyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 10853988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).