1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene

C10H15FN2O2S — CID 35310058

IUPAC1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene
SMILESCN(C)S(=O)(=O)NCCc1ccccc1F
InChIInChI=1S/C10H15FN2O2S/c1-13(2)16(14,15)12-8-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3
InChIKeyAJCXDOQSXCNAQR-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.76
Rot. Bonds5

About 1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene

1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene (PubChem CID 35310058) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene
PubChem CID35310058
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Name1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene
SMILESCN(C)S(=O)(=O)NCCc1ccccc1F
InChIInChI=1S/C10H15FN2O2S/c1-13(2)16(14,15)12-8-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3
InChIKeyAJCXDOQSXCNAQR-UHFFFAOYSA-N
XLogP0.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene
CID 110789026
2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide
CID 107650619
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 54952610
2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300997
N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 16890483
N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110411117
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
1-[3-(dimethylsulfamoylamino)prop-1-ynyl]-2-fluorobenzene
CID 90552626

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene (CID 35310058) is 1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene is CN(C)S(=O)(=O)NCCc1ccccc1F.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene?
The InChIKey is AJCXDOQSXCNAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-13(2)16(14,15)12-8-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene?
1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene has a molecular weight of 246.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene is sourced from PubChem (CID 35310058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).