2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide

C22H21Cl2NO3S — CID 121085769

IUPAC2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)c(Cl)cc1Cl
InChIInChI=1S/C22H21Cl2NO3S/c1-15-12-21(20(24)13-19(15)23)29(27,28)25-14-22(2,26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,25-26H,14H2,1-2H3
InChIKeyZVXGMICTAGTAQM-UHFFFAOYSA-N
MW450.39 g/mol
LogP5.15
Rot. Bonds6

About 2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide

2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide (PubChem CID 121085769) has the molecular formula C22H21Cl2NO3S and a molecular weight of 450.39 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide
PubChem CID121085769
Molecular FormulaC22H21Cl2NO3S
Molecular Weight450.39 g/mol
Exact Mass449.06
IUPAC Name2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)c(Cl)cc1Cl
InChIInChI=1S/C22H21Cl2NO3S/c1-15-12-21(20(24)13-19(15)23)29(27,28)25-14-22(2,26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,25-26H,14H2,1-2H3
InChIKeyZVXGMICTAGTAQM-UHFFFAOYSA-N
XLogP5.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.39
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 97413982
4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide
CID 121085734
2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 90497565
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 90497578
N-[(2S)-2-hydroxy-2-phenylpropyl]-2,4-dimethylbenzenesulfonamide
CID 95368044
2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide
CID 90599295
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 110291476
N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide
CID 97355076
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethylbenzenesulfonamide
CID 110291564
N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 90497581
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65107865

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide (CID 121085769) is 2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide?
The InChIKey is ZVXGMICTAGTAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NO3S/c1-15-12-21(20(24)13-19(15)23)29(27,28)25-14-22(2,26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,25-26H,14H2,1-2H3.
What are the key properties of 2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide has a molecular weight of 450.39 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 121085769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).