N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide

C28H25NO5S — CID 2356362

IUPACN-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)C[C@H](O)COc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C28H25NO5S/c30-22(20-33-23-15-16-28-26(17-23)25-13-7-8-14-27(25)34-28)19-29(18-21-9-3-1-4-10-21)35(31,32)24-11-5-2-6-12-24/h1-17,22,30H,18-20H2/t22-/m0/s1
InChIKeyIUVQLOMKILLUAD-QFIPXVFZSA-N
MW487.58 g/mol
LogP5.22
Rot. Bonds9

About N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide

N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide (PubChem CID 2356362) has the molecular formula C28H25NO5S and a molecular weight of 487.58 g/mol. Its IUPAC name is N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
PubChem CID2356362
Molecular FormulaC28H25NO5S
Molecular Weight487.58 g/mol
Exact Mass487.15
IUPAC NameN-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)C[C@H](O)COc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C28H25NO5S/c30-22(20-33-23-15-16-28-26(17-23)25-13-7-8-14-27(25)34-28)19-29(18-21-9-3-1-4-10-21)35(31,32)24-11-5-2-6-12-24/h1-17,22,30H,18-20H2/t22-/m0/s1
InChIKeyIUVQLOMKILLUAD-QFIPXVFZSA-N
XLogP5.22
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-chloro-N-[(2R)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
CID 2368717
N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
CID 2368715
N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide
CID 5093401
2-(3-chloro-2-hydroxypropoxy)xanthen-9-one
CID 10638254
(2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7745763
1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 3258806
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol
CID 30732583
4-dibenzofuran-2-yloxybut-2-enoic acid
CID 76940836
(2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1368771
1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2884745
2-[[2-[[carboxymethyl(dibenzofuran-2-ylsulfonyl)amino]methyl]phenyl]methyl-dibenzofuran-2-ylsulfonylamino]acetic acid
CID 154653276
N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide
CID 70190391

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide (CID 2356362) is N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccccc1)C[C@H](O)COc1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is IUVQLOMKILLUAD-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H25NO5S/c30-22(20-33-23-15-16-28-26(17-23)25-13-7-8-14-27(25)34-28)19-29(18-21-9-3-1-4-10-21)35(31,32)24-11-5-2-6-12-24/h1-17,22,30H,18-20H2/t22-/m0/s1.
What are the key properties of N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide?
N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 487.58 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 2356362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).