1-(dimethylsulfamoylamino)-4-fluorobenzene

C8H11FN2O2S — CID 842731

IUPAC1-(dimethylsulfamoylamino)-4-fluorobenzene
SMILESCN(C)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C8H11FN2O2S/c1-11(2)14(12,13)10-8-5-3-7(9)4-6-8/h3-6,10H,1-2H3
InChIKeyRCXGXGLHRACFCR-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.04
Rot. Bonds3

About 1-(dimethylsulfamoylamino)-4-fluorobenzene

1-(dimethylsulfamoylamino)-4-fluorobenzene (PubChem CID 842731) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-4-fluorobenzene.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-4-fluorobenzene
PubChem CID842731
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name1-(dimethylsulfamoylamino)-4-fluorobenzene
SMILESCN(C)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C8H11FN2O2S/c1-11(2)14(12,13)10-8-5-3-7(9)4-6-8/h3-6,10H,1-2H3
InChIKeyRCXGXGLHRACFCR-UHFFFAOYSA-N
XLogP1.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-phenylaminosulfonamide
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Methanesulfonamide, N-phenyl-
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3-(N,N-Dimethylsulphamoylamino)benzeneboronic acid
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N-(2-Fluorophenyl)methanesulfonamide
CID 669015
N-(2-fluorophenyl)ethane-1-sulfonamide
CID 4693938
[(Dimethylamino)sulfonyl](2-fluorophenyl)amine
CID 842582
N-(4-Iodophenyl)sulfamide
CID 44380588
N-[4-(dimethylamino)phenyl]sulfamide
CID 44380951
N-(4-fluorophenyl)piperidine-1-sulfonamide
CID 729579

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-4-fluorobenzene?
The IUPAC name of 1-(dimethylsulfamoylamino)-4-fluorobenzene (CID 842731) is 1-(dimethylsulfamoylamino)-4-fluorobenzene.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-4-fluorobenzene?
The canonical SMILES for 1-(dimethylsulfamoylamino)-4-fluorobenzene is CN(C)S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(dimethylsulfamoylamino)-4-fluorobenzene?
The InChIKey is RCXGXGLHRACFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c1-11(2)14(12,13)10-8-5-3-7(9)4-6-8/h3-6,10H,1-2H3.
What are the key properties of 1-(dimethylsulfamoylamino)-4-fluorobenzene?
1-(dimethylsulfamoylamino)-4-fluorobenzene has a molecular weight of 218.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-4-fluorobenzene is sourced from PubChem (CID 842731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).