N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide

C10H14F2N2O2S — CID 43135974

IUPACN-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide
SMILESNCCCN(c1ccccc1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H14F2N2O2S/c11-10(12)17(15,16)14(8-4-7-13)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2
InChIKeyHDCZPEGEBAQMBY-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.39
Rot. Bonds6

About N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide

N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide (PubChem CID 43135974) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide
PubChem CID43135974
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC NameN-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide
SMILESNCCCN(c1ccccc1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H14F2N2O2S/c11-10(12)17(15,16)14(8-4-7-13)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2
InChIKeyHDCZPEGEBAQMBY-UHFFFAOYSA-N
XLogP1.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide
CID 43136203
[3-aminopropyl(sulfamoyl)amino]benzene
CID 115580045
N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide
CID 107366466
N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine
CID 43135973
N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide
CID 60859587
N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide
CID 60859443
[3-aminopropyl(cyclopropylsulfamoyl)amino]benzene
CID 114803326
N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide
CID 104517075
N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide
CID 63688577
N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine
CID 60870242
1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene
CID 114813771
N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylsulfonylmethanesulfonamide
CID 82839894

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide (CID 43135974) is N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide is NCCCN(c1ccccc1)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide?
The InChIKey is HDCZPEGEBAQMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c11-10(12)17(15,16)14(8-4-7-13)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2.
What are the key properties of N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide?
N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide has a molecular weight of 264.30 g/mol, XLogP of 1.39, 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-phenylmethanesulfonamide is sourced from PubChem (CID 43135974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).