N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine

C14H23ClN2O3S — CID 52580356

IUPACN-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine
SMILESCCCCN(C)S(=O)(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2O3S/c1-4-5-10-16(2)21(18,19)17(3)11-12-20-14-8-6-13(15)7-9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyKJRUCXQFBARJJX-UHFFFAOYSA-N
MW334.87 g/mol
LogP2.63
Rot. Bonds9

About N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine

N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine (PubChem CID 52580356) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine
PubChem CID52580356
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC NameN-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine
SMILESCCCCN(C)S(=O)(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2O3S/c1-4-5-10-16(2)21(18,19)17(3)11-12-20-14-8-6-13(15)7-9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyKJRUCXQFBARJJX-UHFFFAOYSA-N
XLogP2.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
N-[4-[6-[butyl(methyl)amino]hexoxy]phenyl]-4-chloro-N-methylbenzenesulfonamide
CID 23446582
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
1-[2-(4-chlorophenoxy)ethyl]-3-[3-[ethylsulfonyl(methyl)amino]propyl]-1,2-dimethylguanidine
CID 111308188
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692013
N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide
CID 61363430
N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60959564
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine
CID 112811399
2-[[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]methyl]-3-methylbutanoic acid
CID 21259088
N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 86907760
N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383893

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine (CID 52580356) is N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine is CCCCN(C)S(=O)(=O)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine?
The InChIKey is KJRUCXQFBARJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3S/c1-4-5-10-16(2)21(18,19)17(3)11-12-20-14-8-6-13(15)7-9-14/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine?
N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine has a molecular weight of 334.87 g/mol, XLogP of 2.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine is sourced from PubChem (CID 52580356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).