N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide

C22H21Cl2NO2S — CID 57088332

IUPACN-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCc1cc(Cl)cc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C22H21Cl2NO2S/c23-20-14-19(15-21(24)16-20)10-7-13-25(17-18-8-3-1-4-9-18)28(26,27)22-11-5-2-6-12-22/h1-6,8-9,11-12,14-16H,7,10,13,17H2
InChIKeyGHOBDOSHQDIBJQ-UHFFFAOYSA-N
MW434.39 g/mol
LogP5.82
Rot. Bonds8

About N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide

N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide (PubChem CID 57088332) has the molecular formula C22H21Cl2NO2S and a molecular weight of 434.39 g/mol. Its IUPAC name is N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide
PubChem CID57088332
Molecular FormulaC22H21Cl2NO2S
Molecular Weight434.39 g/mol
Exact Mass433.07
IUPAC NameN-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCc1cc(Cl)cc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C22H21Cl2NO2S/c23-20-14-19(15-21(24)16-20)10-7-13-25(17-18-8-3-1-4-9-18)28(26,27)22-11-5-2-6-12-22/h1-6,8-9,11-12,14-16H,7,10,13,17H2
InChIKeyGHOBDOSHQDIBJQ-UHFFFAOYSA-N
XLogP5.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.39
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
4-[[(3,4-dichlorophenyl)sulfonyl-(3-phenylpropyl)amino]methyl]benzoic acid
CID 66978824
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
N-benzyl-N-[3-[2-(benzylamino)ethylamino]propyl]benzenesulfonamide
CID 167012905
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 126010858
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 175361860

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide (CID 57088332) is N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(CCCc1cc(Cl)cc(Cl)c1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide?
The InChIKey is GHOBDOSHQDIBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NO2S/c23-20-14-19(15-21(24)16-20)10-7-13-25(17-18-8-3-1-4-9-18)28(26,27)22-11-5-2-6-12-22/h1-6,8-9,11-12,14-16H,7,10,13,17H2.
What are the key properties of N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide?
N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide has a molecular weight of 434.39 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 57088332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).