N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide

C11H14FNO2S — CID 56513002

IUPACN-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC1CC1
InChIInChI=1S/C11H14FNO2S/c12-11-3-1-2-10(6-11)8-16(14,15)13-7-9-4-5-9/h1-3,6,9,13H,4-5,7-8H2
InChIKeyCPSVUWHGWSJHKY-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.66
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide

N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 56513002) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
PubChem CID56513002
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC NameN-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC1CC1
InChIInChI=1S/C11H14FNO2S/c12-11-3-1-2-10(6-11)8-16(14,15)13-7-9-4-5-9/h1-3,6,9,13H,4-5,7-8H2
InChIKeyCPSVUWHGWSJHKY-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673
1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 121108298
1-(cyclopropylmethylsulfonylmethyl)-3-fluorobenzene
CID 167784424
1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
CID 54885869
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
tert-butyl 2-[[(3-fluorophenyl)methylsulfonylamino]methyl]pyrrolidine-1-carboxylate
CID 71631388
3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887867
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
CID 122264174
4-[(benzylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525485
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide (CID 56513002) is N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is CPSVUWHGWSJHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-11-3-1-2-10(6-11)8-16(14,15)13-7-9-4-5-9/h1-3,6,9,13H,4-5,7-8H2.
What are the key properties of N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide?
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 243.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 56513002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).