[3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate

C23H23NO5S — CID 4843468

IUPAC[3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate
SMILESCc1ccc(S(=O)(=O)NC(CCOC(=O)c2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO5S/c1-17-7-13-21(14-8-17)30(27,28)24-22(18-5-3-2-4-6-18)15-16-29-23(26)19-9-11-20(25)12-10-19/h2-14,22,24-25H,15-16H2,1H3
InChIKeyYPBPWPPEAWOCPY-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.97
Rot. Bonds8

About [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate

[3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate (PubChem CID 4843468) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate
PubChem CID4843468
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC Name[3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate
SMILESCc1ccc(S(=O)(=O)NC(CCOC(=O)c2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO5S/c1-17-7-13-21(14-8-17)30(27,28)24-22(18-5-3-2-4-6-18)15-16-29-23(26)19-9-11-20(25)12-10-19/h2-14,22,24-25H,15-16H2,1H3
InChIKeyYPBPWPPEAWOCPY-UHFFFAOYSA-N
XLogP3.97
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
[2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl] propanoate
CID 122211844
methyl 7-[(4-methylphenyl)sulfonylamino]-7-phenylheptanoate
CID 139616765
ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate
CID 102462805
tert-butyl (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 11025192
ethyl 5-[(4-methylphenyl)sulfonylamino]-3-oxo-5-phenylpentanoate
CID 102079264
2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate
CID 139957940
N-[(1S)-4-chloro-3-oxo-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 134499747
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
CID 152503716

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate?
The IUPAC name of [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate (CID 4843468) is [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate.
What is the SMILES notation for [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate?
The canonical SMILES for [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate is Cc1ccc(S(=O)(=O)NC(CCOC(=O)c2ccc(O)cc2)c2ccccc2)cc1.
What is the InChIKey of [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate?
The InChIKey is YPBPWPPEAWOCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5S/c1-17-7-13-21(14-8-17)30(27,28)24-22(18-5-3-2-4-6-18)15-16-29-23(26)19-9-11-20(25)12-10-19/h2-14,22,24-25H,15-16H2,1H3.
What are the key properties of [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate?
[3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate has a molecular weight of 425.51 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate is sourced from PubChem (CID 4843468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).