3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide

C14H14F2N2O2S — CID 43688489

IUPAC3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2c(F)cccc2F)c1
InChIInChI=1S/C14H14F2N2O2S/c1-17-21(19,20)11-5-2-4-10(8-11)18-9-12-13(15)6-3-7-14(12)16/h2-8,17-18H,9H2,1H3
InChIKeyUGWDXCJXTNXWTE-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.48
Rot. Bonds5

About 3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide

3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 43688489) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide
PubChem CID43688489
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2c(F)cccc2F)c1
InChIInChI=1S/C14H14F2N2O2S/c1-17-21(19,20)11-5-2-4-10(8-11)18-9-12-13(15)6-3-7-14(12)16/h2-8,17-18H,9H2,1H3
InChIKeyUGWDXCJXTNXWTE-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

3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688530
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
3-[(2,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688508
3-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115937915
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide
CID 66416292
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688481
N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 43688461
3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 43688458
N-methyl-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66399790

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide (CID 43688489) is 3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(NCc2c(F)cccc2F)c1.
What is the InChIKey of 3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is UGWDXCJXTNXWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-17-21(19,20)11-5-2-4-10(8-11)18-9-12-13(15)6-3-7-14(12)16/h2-8,17-18H,9H2,1H3.
What are the key properties of 3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide?
3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide 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 3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43688489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).