1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene

C13H22N2O4S2 — CID 110790785

IUPAC1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene
SMILESCC(C)S(=O)(=O)c1ccc(CCNS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H22N2O4S2/c1-11(2)20(16,17)13-7-5-12(6-8-13)9-10-14-21(18,19)15(3)4/h5-8,11,14H,9-10H2,1-4H3
InChIKeyGVXXHFAZZGJFQG-UHFFFAOYSA-N
MW334.46 g/mol
LogP0.81
Rot. Bonds7

About 1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene

1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene (PubChem CID 110790785) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene
PubChem CID110790785
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC Name1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene
SMILESCC(C)S(=O)(=O)c1ccc(CCNS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H22N2O4S2/c1-11(2)20(16,17)13-7-5-12(6-8-13)9-10-14-21(18,19)15(3)4/h5-8,11,14H,9-10H2,1-4H3
InChIKeyGVXXHFAZZGJFQG-UHFFFAOYSA-N
XLogP0.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide
CID 110790782
1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
[2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol
CID 115229349
1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene
CID 35302797
2-(4-propan-2-ylsulfonylphenyl)ethanol
CID 69406011
1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 54947518
N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18713933
1-(2,2-dimethylpropyl)-3-[2-(4-propan-2-ylsulfonylphenyl)ethyl]urea
CID 110776126
1-pent-3-ynyl-4-propan-2-ylsulfonylbenzene
CID 83927091
1-[4-(dimethylsulfamoylamino)butyl]-4-nitrobenzene
CID 56794321
2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide
CID 110790773
1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene
CID 110288832

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene (CID 110790785) is 1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene is CC(C)S(=O)(=O)c1ccc(CCNS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene?
The InChIKey is GVXXHFAZZGJFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-11(2)20(16,17)13-7-5-12(6-8-13)9-10-14-21(18,19)15(3)4/h5-8,11,14H,9-10H2,1-4H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene?
1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene has a molecular weight of 334.46 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene is sourced from PubChem (CID 110790785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).