N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide

C14H14F2N2O2S — CID 61076846

IUPACN-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cccc(F)c2F)cc1
InChIInChI=1S/C14H14F2N2O2S/c1-17-9-10-5-7-11(8-6-10)21(19,20)18-13-4-2-3-12(15)14(13)16/h2-8,17-18H,9H2,1H3
InChIKeyCEBINJAVJNQWED-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.48
Rot. Bonds5

About N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide

N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 61076846) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
PubChem CID61076846
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC NameN-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cccc(F)c2F)cc1
InChIInChI=1S/C14H14F2N2O2S/c1-17-9-10-5-7-11(8-6-10)21(19,20)18-13-4-2-3-12(15)14(13)16/h2-8,17-18H,9H2,1H3
InChIKeyCEBINJAVJNQWED-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-difluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106017374
N-(3,5-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60822038
N-(2,3-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61075597
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820
N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62146722
N-(2,3-difluorophenyl)ethanesulfonamide
CID 64586893
6-amino-N-(2,3-difluorophenyl)pyridine-3-sulfonamide
CID 62147251
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 28715386
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 61076963
2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606132
2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106911076

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide (CID 61076846) is N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2cccc(F)c2F)cc1.
What is the InChIKey of N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is CEBINJAVJNQWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-17-9-10-5-7-11(8-6-10)21(19,20)18-13-4-2-3-12(15)14(13)16/h2-8,17-18H,9H2,1H3.
What are the key properties of N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide?
N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 61076846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).