2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine

C28H27NO4S — CID 170274194

IUPAC2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine
SMILESCOc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(CN)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H27NO4S/c1-28(20-29,21-6-4-3-5-7-21)22-8-10-24(11-9-22)33-25-14-18-27(19-15-25)34(30,31)26-16-12-23(32-2)13-17-26/h3-19H,20,29H2,1-2H3
InChIKeyLKRHJERTCIHBCL-UHFFFAOYSA-N
MW473.59 g/mol
LogP5.59
Rot. Bonds8

About 2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine

2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine (PubChem CID 170274194) has the molecular formula C28H27NO4S and a molecular weight of 473.59 g/mol. Its IUPAC name is 2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine
PubChem CID170274194
Molecular FormulaC28H27NO4S
Molecular Weight473.59 g/mol
Exact Mass473.17
IUPAC Name2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine
SMILESCOc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(CN)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H27NO4S/c1-28(20-29,21-6-4-3-5-7-21)22-8-10-24(11-9-22)33-25-14-18-27(19-15-25)34(30,31)26-16-12-23(32-2)13-17-26/h3-19H,20,29H2,1-2H3
InChIKeyLKRHJERTCIHBCL-UHFFFAOYSA-N
XLogP5.59
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.59
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methane;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 161249508
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenyl]phenyl]sulfonyl-4-methylbenzene
CID 158493330
1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-4-methylbenzene;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158201079
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
ethane;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-4-methylbenzene;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenyl]phenyl]sulfonyl-4-methylbenzene
CID 158604521
1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene
CID 155694440
1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene
CID 155030070
ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene
CID 91541647
N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 119975574
[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol
CID 90128560

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine?
The IUPAC name of 2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine (CID 170274194) is 2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine.
What is the SMILES notation for 2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine?
The canonical SMILES for 2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine is COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(CN)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine?
The InChIKey is LKRHJERTCIHBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4S/c1-28(20-29,21-6-4-3-5-7-21)22-8-10-24(11-9-22)33-25-14-18-27(19-15-25)34(30,31)26-16-12-23(32-2)13-17-26/h3-19H,20,29H2,1-2H3.
What are the key properties of 2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine?
2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine has a molecular weight of 473.59 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 170274194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).