N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide

C11H16Cl2N2O2S — CID 120583362

IUPACN-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide
SMILESNCCCCNS(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c12-10-4-3-5-11(13)9(10)8-18(16,17)15-7-2-1-6-14/h3-5,15H,1-2,6-8,14H2
InChIKeyPSPLNOAPBJIBQM-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.15
Rot. Bonds7

About N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide

N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide (PubChem CID 120583362) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide
PubChem CID120583362
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC NameN-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide
SMILESNCCCCNS(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c12-10-4-3-5-11(13)9(10)8-18(16,17)15-7-2-1-6-14/h3-5,15H,1-2,6-8,14H2
InChIKeyPSPLNOAPBJIBQM-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780581
N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
CID 120583800
1-(2,6-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973248
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride
CID 71296961
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
CID 120583360
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide;hydrochloride
CID 120583359
N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 119986929
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
1-(2-chlorophenyl)-N-heptylmethanesulfonamide
CID 17257569
N'-[(5-chloronaphthalen-1-yl)sulfonylmethyl]butane-1,4-diamine
CID 23891607
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide (CID 120583362) is N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide is NCCCCNS(=O)(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide?
The InChIKey is PSPLNOAPBJIBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c12-10-4-3-5-11(13)9(10)8-18(16,17)15-7-2-1-6-14/h3-5,15H,1-2,6-8,14H2.
What are the key properties of N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide?
N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide has a molecular weight of 311.23 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 120583362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).