N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide

C13H22N2O4S2 — CID 79562680

IUPACN,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H22N2O4S2/c1-13(2,20(5,16)17)10-14-11-8-6-7-9-12(11)21(18,19)15(3)4/h6-9,14H,10H2,1-5H3
InChIKeyQACRPEKSJATXIP-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.17
Rot. Bonds6

About N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide

N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide (PubChem CID 79562680) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide
PubChem CID79562680
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC NameN,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H22N2O4S2/c1-13(2,20(5,16)17)10-14-11-8-6-7-9-12(11)21(18,19)15(3)4/h6-9,14H,10H2,1-5H3
InChIKeyQACRPEKSJATXIP-UHFFFAOYSA-N
XLogP1.17
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 107849381
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
2-(2-cyclopentylethylamino)-N,N-dimethylbenzenesulfonamide
CID 60920166
2-[(1-chloro-2-methylbutan-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 65028243
2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 63759663
N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904200
N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 62056766
2-fluoro-6-[(2-methyl-2-methylsulfonylpropyl)amino]benzonitrile
CID 79563190
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 55084058
2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
CID 63759564

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide (CID 79562680) is N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide?
The InChIKey is QACRPEKSJATXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-13(2,20(5,16)17)10-14-11-8-6-7-9-12(11)21(18,19)15(3)4/h6-9,14H,10H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide?
N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide has a molecular weight of 334.46 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide is sourced from PubChem (CID 79562680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).