N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide

C13H22N2O4S2 — CID 30126219

IUPACN,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNS(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O4S2/c1-4-15(5-2)21(18,19)13-8-6-12(7-9-13)10-11-14-20(3,16)17/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyATHPPXPLUCQDSJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP0.81
Rot. Bonds8

About N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide

N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide (PubChem CID 30126219) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide
PubChem CID30126219
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC NameN,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNS(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O4S2/c1-4-15(5-2)21(18,19)13-8-6-12(7-9-13)10-11-14-20(3,16)17/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyATHPPXPLUCQDSJ-UHFFFAOYSA-N
XLogP0.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811
N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide
CID 110790782
ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate
CID 30126262
[4-(diethylsulfamoyl)phenyl]methylazanium
CID 7129046
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
CID 167869389
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide
CID 51211052
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 54904084
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 30126544
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide (CID 30126219) is N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(CCNS(C)(=O)=O)cc1.
What is the InChIKey of N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The InChIKey is ATHPPXPLUCQDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-4-15(5-2)21(18,19)13-8-6-12(7-9-13)10-11-14-20(3,16)17/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide has a molecular weight of 334.46 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide is sourced from PubChem (CID 30126219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).