N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide

C20H26Cl2N2O2S — CID 171593382

IUPACN-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide
SMILESCCCCCN(C)CC(NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H26Cl2N2O2S/c1-3-4-8-13-24(2)15-20(16-11-12-18(21)19(22)14-16)23-27(25,26)17-9-6-5-7-10-17/h5-7,9-12,14,20,23H,3-4,8,13,15H2,1-2H3
InChIKeyGOHMOBONHSLDQQ-UHFFFAOYSA-N
MW429.41 g/mol
LogP5.14
Rot. Bonds10

About N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide

N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide (PubChem CID 171593382) has the molecular formula C20H26Cl2N2O2S and a molecular weight of 429.41 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide
PubChem CID171593382
Molecular FormulaC20H26Cl2N2O2S
Molecular Weight429.41 g/mol
Exact Mass428.11
IUPAC NameN-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide
SMILESCCCCCN(C)CC(NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H26Cl2N2O2S/c1-3-4-8-13-24(2)15-20(16-11-12-18(21)19(22)14-16)23-27(25,26)17-9-6-5-7-10-17/h5-7,9-12,14,20,23H,3-4,8,13,15H2,1-2H3
InChIKeyGOHMOBONHSLDQQ-UHFFFAOYSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.41
LogP ≤ 55.14
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide (CID 171593382) is N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide is CCCCCN(C)CC(NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide?
The InChIKey is GOHMOBONHSLDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O2S/c1-3-4-8-13-24(2)15-20(16-11-12-18(21)19(22)14-16)23-27(25,26)17-9-6-5-7-10-17/h5-7,9-12,14,20,23H,3-4,8,13,15H2,1-2H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide?
N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide has a molecular weight of 429.41 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 171593382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).