N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide

C28H24ClNO4S — CID 18669510

IUPACN,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide
SMILESO=C(COc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C28H24ClNO4S/c29-25-13-15-26(16-14-25)34-21-28(31)24-11-17-27(18-12-24)35(32,33)30(19-22-7-3-1-4-8-22)20-23-9-5-2-6-10-23/h1-18H,19-21H2
InChIKeyRUFHWPIDDQXYRT-UHFFFAOYSA-N
MW506.02 g/mol
LogP5.99
Rot. Bonds10

About N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide

N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide (PubChem CID 18669510) has the molecular formula C28H24ClNO4S and a molecular weight of 506.02 g/mol. Its IUPAC name is N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide
PubChem CID18669510
Molecular FormulaC28H24ClNO4S
Molecular Weight506.02 g/mol
Exact Mass505.11
IUPAC NameN,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide
SMILESO=C(COc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C28H24ClNO4S/c29-25-13-15-26(16-14-25)34-21-28(31)24-11-17-27(18-12-24)35(32,33)30(19-22-7-3-1-4-8-22)20-23-9-5-2-6-10-23/h1-18H,19-21H2
InChIKeyRUFHWPIDDQXYRT-UHFFFAOYSA-N
XLogP5.99
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.02
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-chloro-N-[[4-(3-cyclopropylpropanoyl)phenyl]methyl]benzenesulfonamide
CID 58129138
[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate
CID 70269768
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid
CID 113222280
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 26861330
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-benzyl-4-chloro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 112759604
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 40750825
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]benzamide
CID 58128877
methyl 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]benzoate
CID 58128955

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide?
The IUPAC name of N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide (CID 18669510) is N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide is O=C(COc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide?
The InChIKey is RUFHWPIDDQXYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClNO4S/c29-25-13-15-26(16-14-25)34-21-28(31)24-11-17-27(18-12-24)35(32,33)30(19-22-7-3-1-4-8-22)20-23-9-5-2-6-10-23/h1-18H,19-21H2.
What are the key properties of N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide?
N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide has a molecular weight of 506.02 g/mol, XLogP of 5.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide is sourced from PubChem (CID 18669510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).