N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide

C28H24ClNO5S — CID 2368715

IUPACN-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)C[C@H](O)COc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C28H24ClNO5S/c29-21-10-13-24(14-11-21)36(32,33)30(17-20-6-2-1-3-7-20)18-22(31)19-34-23-12-15-28-26(16-23)25-8-4-5-9-27(25)35-28/h1-16,22,31H,17-19H2/t22-/m0/s1
InChIKeyLSNMFVSWTGCAMM-QFIPXVFZSA-N
MW522.02 g/mol
LogP5.87
Rot. Bonds9

About N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide

N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide (PubChem CID 2368715) has the molecular formula C28H24ClNO5S and a molecular weight of 522.02 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
PubChem CID2368715
Molecular FormulaC28H24ClNO5S
Molecular Weight522.02 g/mol
Exact Mass521.11
IUPAC NameN-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)C[C@H](O)COc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C28H24ClNO5S/c29-21-10-13-24(14-11-21)36(32,33)30(17-20-6-2-1-3-7-20)18-22(31)19-34-23-12-15-28-26(16-23)25-8-4-5-9-27(25)35-28/h1-16,22,31H,17-19H2/t22-/m0/s1
InChIKeyLSNMFVSWTGCAMM-QFIPXVFZSA-N
XLogP5.87
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.02
LogP ≤ 55.87
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-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
CID 2356362
N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide
CID 5093401
N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide
CID 18669510
2-(3-chloro-2-hydroxypropoxy)xanthen-9-one
CID 10638254
(2S)-1-[benzyl(2-methylpropyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 93161416
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-dibenzofuran-2-ylbenzamide
CID 16552391
(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
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
2-[[2-[[carboxymethyl(dibenzofuran-2-ylsulfonyl)amino]methyl]phenyl]methyl-dibenzofuran-2-ylsulfonylamino]acetic acid
CID 154653276
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol
CID 30732583

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide (CID 2368715) is N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)C[C@H](O)COc1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is LSNMFVSWTGCAMM-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H24ClNO5S/c29-21-10-13-24(14-11-21)36(32,33)30(17-20-6-2-1-3-7-20)18-22(31)19-34-23-12-15-28-26(16-23)25-8-4-5-9-27(25)35-28/h1-16,22,31H,17-19H2/t22-/m0/s1.
What are the key properties of N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide?
N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 522.02 g/mol, XLogP of 5.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 2368715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).