1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide

C22H22ClNO3S — CID 71781841

IUPAC1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide
SMILESCC(O)(CNS(=O)(=O)Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22ClNO3S/c1-22(25,16-24-28(26,27)15-19-9-5-6-10-21(19)23)20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-14,24-25H,15-16H2,1H3
InChIKeyXJDCZBPGZUIKPE-UHFFFAOYSA-N
MW415.94 g/mol
LogP4.33
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide

1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide (PubChem CID 71781841) has the molecular formula C22H22ClNO3S and a molecular weight of 415.94 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide
PubChem CID71781841
Molecular FormulaC22H22ClNO3S
Molecular Weight415.94 g/mol
Exact Mass415.10
IUPAC Name1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide
SMILESCC(O)(CNS(=O)(=O)Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22ClNO3S/c1-22(25,16-24-28(26,27)15-19-9-5-6-10-21(19)23)20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-14,24-25H,15-16H2,1H3
InChIKeyXJDCZBPGZUIKPE-UHFFFAOYSA-N
XLogP4.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.94
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide (CID 71781841) is 1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide is CC(O)(CNS(=O)(=O)Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide?
The InChIKey is XJDCZBPGZUIKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3S/c1-22(25,16-24-28(26,27)15-19-9-5-6-10-21(19)23)20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-14,24-25H,15-16H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide has a molecular weight of 415.94 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]methanesulfonamide is sourced from PubChem (CID 71781841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).