3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide

C15H22Cl2N2O3S — CID 113068313

IUPAC3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
SMILESCCCCCN(CCNC(=O)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-3-4-5-9-19(23(2,21)22)10-8-18-15(20)12-6-7-13(16)14(17)11-12/h6-7,11H,3-5,8-10H2,1-2H3,(H,18,20)
InChIKeyALUQJHBERFTLEP-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.17
Rot. Bonds9

About 3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide

3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide (PubChem CID 113068313) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
PubChem CID113068313
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC Name3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
SMILESCCCCCN(CCNC(=O)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-3-4-5-9-19(23(2,21)22)10-8-18-15(20)12-6-7-13(16)14(17)11-12/h6-7,11H,3-5,8-10H2,1-2H3,(H,18,20)
InChIKeyALUQJHBERFTLEP-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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

4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068306
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065382
N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113068329
3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064977
4-bromo-3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 80974274
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
CID 113068320
4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
CID 113064845
4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
CID 60604741

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide (CID 113068313) is 3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide is CCCCCN(CCNC(=O)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide?
The InChIKey is ALUQJHBERFTLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O3S/c1-3-4-5-9-19(23(2,21)22)10-8-18-15(20)12-6-7-13(16)14(17)11-12/h6-7,11H,3-5,8-10H2,1-2H3,(H,18,20).
What are the key properties of 3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide?
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide has a molecular weight of 381.33 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide is sourced from PubChem (CID 113068313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).