N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide

C19H23Cl2N3O3S — CID 46227072

IUPACN-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1ccc(CCC(=O)NCCCNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H23Cl2N3O3S/c1-28(26,27)24-15-6-3-14(4-7-15)5-10-19(25)23-12-2-11-22-16-8-9-17(20)18(21)13-16/h3-4,6-9,13,22,24H,2,5,10-12H2,1H3,(H,23,25)
InChIKeyDBOUFWRXCYZPIJ-UHFFFAOYSA-N
MW444.38 g/mol
LogP3.92
Rot. Bonds10

About N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide

N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide (PubChem CID 46227072) has the molecular formula C19H23Cl2N3O3S and a molecular weight of 444.38 g/mol. Its IUPAC name is N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide
PubChem CID46227072
Molecular FormulaC19H23Cl2N3O3S
Molecular Weight444.38 g/mol
Exact Mass443.08
IUPAC NameN-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1ccc(CCC(=O)NCCCNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H23Cl2N3O3S/c1-28(26,27)24-15-6-3-14(4-7-15)5-10-19(25)23-12-2-11-22-16-8-9-17(20)18(21)13-16/h3-4,6-9,13,22,24H,2,5,10-12H2,1H3,(H,23,25)
InChIKeyDBOUFWRXCYZPIJ-UHFFFAOYSA-N
XLogP3.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11270075
N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11303670
N-(4-(3-(2-(3,4-Dichlorophenylamino)ethylamino)-propyl)phenyl)methanesulfonamide
CID 44515310
N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]propyl]phenyl]methanesulfonamide
CID 46227003
1-(3,4-Dichlorophenyl)-3-[3-[4-(methanesulfonamido)phenyl]propanoylamino]urea
CID 46227063
N-(2-(3,4-Dichlorophenylamino)ethyl)-3-(4-(methylsulfonamido)phenyl)propanamide
CID 46227092
N-(3,4-Dichlorocinnamyl)-3-(4-(methylsulfonamido)-phenyl)propanamide
CID 46227102
N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide
CID 146649767
4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide
CID 1106277
4-[(4-chlorobenzyl)(methylsulfonyl)amino]-N-[2-(1-cyclohexen-1-yl)ethyl]benzamide
CID 1312358
N-Allyl-4-[(4-chloro-benzyl)-methanesulfonyl-amino]-benzamide
CID 2262525
N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 2380645

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide (CID 46227072) is N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide is CS(=O)(=O)Nc1ccc(CCC(=O)NCCCNc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is DBOUFWRXCYZPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3S/c1-28(26,27)24-15-6-3-14(4-7-15)5-10-19(25)23-12-2-11-22-16-8-9-17(20)18(21)13-16/h3-4,6-9,13,22,24H,2,5,10-12H2,1H3,(H,23,25).
What are the key properties of N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide?
N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 444.38 g/mol, XLogP of 3.92, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 46227072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).