N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide

C14H24N2O4S2 — CID 113065440

IUPACN-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
SMILESCCCCN(CCNS(=O)(=O)c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C14H24N2O4S2/c1-4-5-11-16(21(3,17)18)12-10-15-22(19,20)14-9-7-6-8-13(14)2/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyMFEZPTDNKWKHGE-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.34
Rot. Bonds9

About N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide

N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide (PubChem CID 113065440) has the molecular formula C14H24N2O4S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
PubChem CID113065440
Molecular FormulaC14H24N2O4S2
Molecular Weight348.49 g/mol
Exact Mass348.12
IUPAC NameN-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
SMILESCCCCN(CCNS(=O)(=O)c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C14H24N2O4S2/c1-4-5-11-16(21(3,17)18)12-10-15-22(19,20)14-9-7-6-8-13(14)2/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyMFEZPTDNKWKHGE-UHFFFAOYSA-N
XLogP1.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113067319
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
CID 113069089
2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068516
2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 113066442
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065789
N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064904
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052766
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
N-(6-chlorohexyl)-2-methylbenzenesulfonamide
CID 107849171
2-[(2-methylphenyl)sulfonylamino]-N,N-dipropylacetamide
CID 112995821
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide (CID 113065440) is N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide is CCCCN(CCNS(=O)(=O)c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide?
The InChIKey is MFEZPTDNKWKHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S2/c1-4-5-11-16(21(3,17)18)12-10-15-22(19,20)14-9-7-6-8-13(14)2/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide?
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide has a molecular weight of 348.49 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113065440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).