benzene;N,N-dimethylmethanesulfonamide;ethane

C17H39NO2S — CID 91013702

IUPACbenzene;N,N-dimethylmethanesulfonamide;ethane
SMILESCC.CC.CC.CC.CN(C)S(C)(=O)=O.c1ccccc1
InChIInChI=1S/C6H6.C3H9NO2S.4C2H6/c1-2-4-6-5-3-1;1-4(2)7(3,5)6;4*1-2/h1-6H;1-3H3;4*1-2H3
InChIKeyHARPIMJIFCHKPA-UHFFFAOYSA-N
MW321.57 g/mol
LogP5.30
Rot. Bonds1

About benzene;N,N-dimethylmethanesulfonamide;ethane

benzene;N,N-dimethylmethanesulfonamide;ethane (PubChem CID 91013702) has the molecular formula C17H39NO2S and a molecular weight of 321.57 g/mol. Its IUPAC name is benzene;N,N-dimethylmethanesulfonamide;ethane.

Molecular Properties

Compound Namebenzene;N,N-dimethylmethanesulfonamide;ethane
PubChem CID91013702
Molecular FormulaC17H39NO2S
Molecular Weight321.57 g/mol
Exact Mass321.27
IUPAC Namebenzene;N,N-dimethylmethanesulfonamide;ethane
SMILESCC.CC.CC.CC.CN(C)S(C)(=O)=O.c1ccccc1
InChIInChI=1S/C6H6.C3H9NO2S.4C2H6/c1-2-4-6-5-3-1;1-4(2)7(3,5)6;4*1-2/h1-6H;1-3H3;4*1-2H3
InChIKeyHARPIMJIFCHKPA-UHFFFAOYSA-N
XLogP5.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.57
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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benzene;ethane;methylsulfonylmethane
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N,N-dimethylmethanesulfonamide;ethane;hexane
CID 91522077
benzene;ethane;methanesulfonate
CID 90804134
1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide
CID 90963668
benzene;methanesulfonyl fluoride
CID 157433018
1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane)
CID 158984698
N-chloro-N-methylmethanesulfonamide
CID 22136679
N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine
CID 13349447
methane;N-methyl-N-methylsulfonylmethanesulfonamide
CID 157258275
benzene;ethane
CID 18504552
N',N'-dimethyl-N-methylsulfonylmethanesulfonohydrazide
CID 159105786

Frequently Asked Questions

What is the IUPAC name of benzene;N,N-dimethylmethanesulfonamide;ethane?
The IUPAC name of benzene;N,N-dimethylmethanesulfonamide;ethane (CID 91013702) is benzene;N,N-dimethylmethanesulfonamide;ethane.
What is the SMILES notation for benzene;N,N-dimethylmethanesulfonamide;ethane?
The canonical SMILES for benzene;N,N-dimethylmethanesulfonamide;ethane is CC.CC.CC.CC.CN(C)S(C)(=O)=O.c1ccccc1.
What is the InChIKey of benzene;N,N-dimethylmethanesulfonamide;ethane?
The InChIKey is HARPIMJIFCHKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H9NO2S.4C2H6/c1-2-4-6-5-3-1;1-4(2)7(3,5)6;4*1-2/h1-6H;1-3H3;4*1-2H3.
What are the key properties of benzene;N,N-dimethylmethanesulfonamide;ethane?
benzene;N,N-dimethylmethanesulfonamide;ethane has a molecular weight of 321.57 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N,N-dimethylmethanesulfonamide;ethane is sourced from PubChem (CID 91013702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).