3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide

C15H22Cl2N2O3S — CID 113146595

IUPAC3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(c1c(Cl)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-3-4-5-10-18-14(20)9-11-19(23(2,21)22)15-12(16)7-6-8-13(15)17/h6-8H,3-5,9-11H2,1-2H3,(H,18,20)
InChIKeyZFXFNSXVYXTLSZ-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.46
Rot. Bonds9

About 3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide

3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide (PubChem CID 113146595) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is 3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide
PubChem CID113146595
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC Name3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(c1c(Cl)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-3-4-5-10-18-14(20)9-11-19(23(2,21)22)15-12(16)7-6-8-13(15)17/h6-8H,3-5,9-11H2,1-2H3,(H,18,20)
InChIKeyZFXFNSXVYXTLSZ-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146588
4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
CID 9173654
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143958
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113145291
3-(4-acetyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145417
3-(4-acetamido-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145529
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide
CID 113154007
3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113147115
N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 113154773
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pentylpropanamide
CID 113139502

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide?
The IUPAC name of 3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide (CID 113146595) is 3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide.
What is the SMILES notation for 3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide?
The canonical SMILES for 3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide is CCCCCNC(=O)CCN(c1c(Cl)cccc1Cl)S(C)(=O)=O.
What is the InChIKey of 3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide?
The InChIKey is ZFXFNSXVYXTLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O3S/c1-3-4-5-10-18-14(20)9-11-19(23(2,21)22)15-12(16)7-6-8-13(15)17/h6-8H,3-5,9-11H2,1-2H3,(H,18,20).
What are the key properties of 3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide?
3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide has a molecular weight of 381.33 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide is sourced from PubChem (CID 113146595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).