5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide

C14H14F2N2O2S — CID 65020929

IUPAC5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C14H14F2N2O2S/c1-9-5-3-4-6-12(9)18(2)21(19,20)13-8-10(17)7-11(15)14(13)16/h3-8H,17H2,1-2H3
InChIKeyRKWLAGKFLNBTPE-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.68
Rot. Bonds3

About 5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide

5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 65020929) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
PubChem CID65020929
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C14H14F2N2O2S/c1-9-5-3-4-6-12(9)18(2)21(19,20)13-8-10(17)7-11(15)14(13)16/h3-8H,17H2,1-2H3
InChIKeyRKWLAGKFLNBTPE-UHFFFAOYSA-N
XLogP2.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.68
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 5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide (CID 65020929) is 5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1N(C)S(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is RKWLAGKFLNBTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-9-5-3-4-6-12(9)18(2)21(19,20)13-8-10(17)7-11(15)14(13)16/h3-8H,17H2,1-2H3.
What are the key properties of 5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 65020929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).