N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide

C12H20N2O4S2 — CID 167869389

IUPACN,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C12H20N2O4S2/c1-5-14(6-2)20(17,18)11-8-7-10(3)12(9-11)13-19(4,15)16/h7-9,13H,5-6H2,1-4H3
InChIKeyBHBNSTZOPMHSHC-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.40
Rot. Bonds6

About N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide

N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide (PubChem CID 167869389) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
PubChem CID167869389
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC NameN,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C12H20N2O4S2/c1-5-14(6-2)20(17,18)11-8-7-10(3)12(9-11)13-19(4,15)16/h7-9,13H,5-6H2,1-4H3
InChIKeyBHBNSTZOPMHSHC-UHFFFAOYSA-N
XLogP1.40
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 5181058
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methylthiourea
CID 8628352
methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
CID 24510131
3-(2,2-dicyanoethenylamino)-N,N-diethyl-4-methylbenzenesulfonamide
CID 26485785
3-[(3-cyanophenyl)sulfonylamino]-N,N-diethyl-4-methylbenzenesulfonamide
CID 4835973
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
CID 25486173
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 7688966
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7819474
4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide
CID 4810842

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide (CID 167869389) is N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide?
The InChIKey is BHBNSTZOPMHSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-5-14(6-2)20(17,18)11-8-7-10(3)12(9-11)13-19(4,15)16/h7-9,13H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide?
N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide has a molecular weight of 320.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide is sourced from PubChem (CID 167869389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).