N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide

C14H14ClFN2O2S — CID 86794996

IUPACN-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1N)S(=O)(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-18(9-10-5-2-3-8-13(10)17)21(19,20)14-11(15)6-4-7-12(14)16/h2-8H,9,17H2,1H3
InChIKeyGUUXJWYNHDISMI-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.88
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide

N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide (PubChem CID 86794996) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide
PubChem CID86794996
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC NameN-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1N)S(=O)(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-18(9-10-5-2-3-8-13(10)17)21(19,20)14-11(15)6-4-7-12(14)16/h2-8H,9,17H2,1H3
InChIKeyGUUXJWYNHDISMI-UHFFFAOYSA-N
XLogP2.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.88
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-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide (CID 86794996) is N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide is CN(Cc1ccccc1N)S(=O)(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide?
The InChIKey is GUUXJWYNHDISMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-18(9-10-5-2-3-8-13(10)17)21(19,20)14-11(15)6-4-7-12(14)16/h2-8H,9,17H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide?
N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 86794996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).