N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide

C22H23NO4S — CID 71012469

IUPACN-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide
SMILESCC(C)c1cc(-c2cccc(NS(=O)(=O)Cc3ccccc3)c2)c(O)cc1O
InChIInChI=1S/C22H23NO4S/c1-15(2)19-12-20(22(25)13-21(19)24)17-9-6-10-18(11-17)23-28(26,27)14-16-7-4-3-5-8-16/h3-13,15,23-25H,14H2,1-2H3
InChIKeyRSFHTQGZJZXZBR-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.83
Rot. Bonds6

About N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide

N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 71012469) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide
PubChem CID71012469
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide
SMILESCC(C)c1cc(-c2cccc(NS(=O)(=O)Cc3ccccc3)c2)c(O)cc1O
InChIInChI=1S/C22H23NO4S/c1-15(2)19-12-20(22(25)13-21(19)24)17-9-6-10-18(11-17)23-28(26,27)14-16-7-4-3-5-8-16/h3-13,15,23-25H,14H2,1-2H3
InChIKeyRSFHTQGZJZXZBR-UHFFFAOYSA-N
XLogP4.83
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide
CID 71012362
N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide
CID 16794346
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide
CID 143808531
4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol
CID 68897959
1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide
CID 142590107
3-(benzylsulfonylamino)-N-phenylbenzamide
CID 166181432
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide
CID 110778693
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide
CID 27210910
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide
CID 71797953

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide (CID 71012469) is N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide is CC(C)c1cc(-c2cccc(NS(=O)(=O)Cc3ccccc3)c2)c(O)cc1O.
What is the InChIKey of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is RSFHTQGZJZXZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-15(2)19-12-20(22(25)13-21(19)24)17-9-6-10-18(11-17)23-28(26,27)14-16-7-4-3-5-8-16/h3-13,15,23-25H,14H2,1-2H3.
What are the key properties of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide?
N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 71012469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).