N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide

C17H20Cl2N2O2S — CID 112985739

IUPACN-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H20Cl2N2O2S/c1-2-11-24(22,23)21-16-7-5-15(6-8-16)20-10-9-13-3-4-14(18)12-17(13)19/h3-8,12,20-21H,2,9-11H2,1H3
InChIKeyXCMCNTFPVZCBNA-UHFFFAOYSA-N
MW387.33 g/mol
LogP4.80
Rot. Bonds8

About N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide

N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide (PubChem CID 112985739) has the molecular formula C17H20Cl2N2O2S and a molecular weight of 387.33 g/mol. Its IUPAC name is N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide
PubChem CID112985739
Molecular FormulaC17H20Cl2N2O2S
Molecular Weight387.33 g/mol
Exact Mass386.06
IUPAC NameN-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H20Cl2N2O2S/c1-2-11-24(22,23)21-16-7-5-15(6-8-16)20-10-9-13-3-4-14(18)12-17(13)19/h3-8,12,20-21H,2,9-11H2,1H3
InChIKeyXCMCNTFPVZCBNA-UHFFFAOYSA-N
XLogP4.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide
CID 113015866
N-[5-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]ethanesulfonamide
CID 113031073
2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
CID 106723048
2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807626
N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63536432
4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline
CID 130243936
N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
CID 112987095
N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide
CID 110790550
N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide
CID 114141200
4-chloro-N-(2-propylsulfonylethyl)aniline
CID 106513312
N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 63536591
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide (CID 112985739) is N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(NCCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide?
The InChIKey is XCMCNTFPVZCBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2S/c1-2-11-24(22,23)21-16-7-5-15(6-8-16)20-10-9-13-3-4-14(18)12-17(13)19/h3-8,12,20-21H,2,9-11H2,1H3.
What are the key properties of N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide?
N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide has a molecular weight of 387.33 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112985739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).