N-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide

C9H11ClF2N2O2S — CID 43550919

IUPACN-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(Cc1cc(N)ccc1Cl)S(=O)(=O)C(F)F
InChIInChI=1S/C9H11ClF2N2O2S/c1-14(17(15,16)9(11)12)5-6-4-7(13)2-3-8(6)10/h2-4,9H,5,13H2,1H3
InChIKeyNLCLDQHVZZYWHS-UHFFFAOYSA-N
MW284.72 g/mol
LogP1.91
Rot. Bonds4

About N-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide

N-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 43550919) has the molecular formula C9H11ClF2N2O2S and a molecular weight of 284.72 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID43550919
Molecular FormulaC9H11ClF2N2O2S
Molecular Weight284.72 g/mol
Exact Mass284.02
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(Cc1cc(N)ccc1Cl)S(=O)(=O)C(F)F
InChIInChI=1S/C9H11ClF2N2O2S/c1-14(17(15,16)9(11)12)5-6-4-7(13)2-3-8(6)10/h2-4,9H,5,13H2,1H3
InChIKeyNLCLDQHVZZYWHS-UHFFFAOYSA-N
XLogP1.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide (CID 43550919) is N-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide is CN(Cc1cc(N)ccc1Cl)S(=O)(=O)C(F)F.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is NLCLDQHVZZYWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2O2S/c1-14(17(15,16)9(11)12)5-6-4-7(13)2-3-8(6)10/h2-4,9H,5,13H2,1H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide?
N-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 284.72 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 43550919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).