2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide

C9H12F2N2O2S — CID 115406487

IUPAC2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H12F2N2O2S/c10-9(11)6-13-16(14,15)8-4-2-1-3-7(8)5-12/h1-4,9,13H,5-6,12H2
InChIKeyOSXTZLASUSVZDT-UHFFFAOYSA-N
MW250.27 g/mol
LogP0.69
Rot. Bonds5

About 2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide

2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide (PubChem CID 115406487) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
PubChem CID115406487
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC Name2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H12F2N2O2S/c10-9(11)6-13-16(14,15)8-4-2-1-3-7(8)5-12/h1-4,9,13H,5-6,12H2
InChIKeyOSXTZLASUSVZDT-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 115409112
2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide
CID 115406488
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 112594590
2-(aminomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809509
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104759943
2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060822
2-(aminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066338
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335927
2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 16781445
3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406483

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide (CID 115406487) is 2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide is NCc1ccccc1S(=O)(=O)NCC(F)F.
What is the InChIKey of 2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide?
The InChIKey is OSXTZLASUSVZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c10-9(11)6-13-16(14,15)8-4-2-1-3-7(8)5-12/h1-4,9,13H,5-6,12H2.
What are the key properties of 2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide?
2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide has a molecular weight of 250.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide is sourced from PubChem (CID 115406487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).