N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide

C10H15FN2O2S — CID 106060646

IUPACN-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H15FN2O2S/c1-8(7-12-2)16(14,15)13-10-5-3-4-9(11)6-10/h3-6,8,12-13H,7H2,1-2H3
InChIKeyZBDOYMJYJQOPBS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.18
Rot. Bonds5

About N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide

N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 106060646) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
PubChem CID106060646
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC NameN-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H15FN2O2S/c1-8(7-12-2)16(14,15)13-10-5-3-4-9(11)6-10/h3-6,8,12-13H,7H2,1-2H3
InChIKeyZBDOYMJYJQOPBS-UHFFFAOYSA-N
XLogP1.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106087915
N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 107447139
N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 106018428
1-(methylamino)-N-(2,3,5,6-tetrafluorophenyl)propane-2-sulfonamide
CID 106087564
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide
CID 106003246
1-(3-fluoroanilino)-2-(methylamino)ethanol
CID 69482385
1-fluoro-3-(sulfamoylamino)benzene
CID 112573204
1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide
CID 106074537
N-(2-iodophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106030243
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114141175
N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106060415

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide (CID 106060646) is N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide is CNCC(C)S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is ZBDOYMJYJQOPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-8(7-12-2)16(14,15)13-10-5-3-4-9(11)6-10/h3-6,8,12-13H,7H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide?
N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 246.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 106060646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).