N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide

C10H13F3N2O2S — CID 43136203

IUPACN-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide
SMILESNCCCN(c1cccc(F)c1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H13F3N2O2S/c11-8-3-1-4-9(7-8)15(6-2-5-14)18(16,17)10(12)13/h1,3-4,7,10H,2,5-6,14H2
InChIKeyYBERCMQBKDAQQH-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.53
Rot. Bonds6

About N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide

N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide (PubChem CID 43136203) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide
PubChem CID43136203
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide
SMILESNCCCN(c1cccc(F)c1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H13F3N2O2S/c11-8-3-1-4-9(7-8)15(6-2-5-14)18(16,17)10(12)13/h1,3-4,7,10H,2,5-6,14H2
InChIKeyYBERCMQBKDAQQH-UHFFFAOYSA-N
XLogP1.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide
CID 43135974
N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylsulfonylmethanesulfonamide
CID 82839894
1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
CID 114803403
N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 63290337
N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 65094027
N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide
CID 60859587
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 28767293
1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
CID 112686124
N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 104530933
N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine
CID 82927448
N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 43319044
[3-aminopropyl(sulfamoyl)amino]benzene
CID 115580045

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide (CID 43136203) is N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide is NCCCN(c1cccc(F)c1)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide?
The InChIKey is YBERCMQBKDAQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c11-8-3-1-4-9(7-8)15(6-2-5-14)18(16,17)10(12)13/h1,3-4,7,10H,2,5-6,14H2.
What are the key properties of N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide?
N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide has a molecular weight of 282.29 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 43136203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).