5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide

C14H14F2N2O2S — CID 43312702

IUPAC5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide
SMILESCc1ccc(NCc2cc(F)ccc2F)cc1S(N)(=O)=O
InChIInChI=1S/C14H14F2N2O2S/c1-9-2-4-12(7-14(9)21(17,19)20)18-8-10-6-11(15)3-5-13(10)16/h2-7,18H,8H2,1H3,(H2,17,19,20)
InChIKeyQDFVBPXVPPHGBH-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.53
Rot. Bonds4

About 5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide

5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide (PubChem CID 43312702) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide
PubChem CID43312702
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide
SMILESCc1ccc(NCc2cc(F)ccc2F)cc1S(N)(=O)=O
InChIInChI=1S/C14H14F2N2O2S/c1-9-2-4-12(7-14(9)21(17,19)20)18-8-10-6-11(15)3-5-13(10)16/h2-7,18H,8H2,1H3,(H2,17,19,20)
InChIKeyQDFVBPXVPPHGBH-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide
CID 114452196
4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide
CID 62124000
4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123866
2-amino-3-[(2,5-difluorophenyl)methylamino]benzenesulfonamide
CID 115992748
N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55196577
methyl 4-[(2,5-difluorophenyl)methylamino]benzoate
CID 43312807
1-[2-amino-4-[(2,5-difluorophenyl)methylamino]phenyl]ethanone
CID 104528863
2-methyl-5-(pentylamino)benzenesulfonamide
CID 28653503
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline
CID 43312594
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113379891

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide (CID 43312702) is 5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide is Cc1ccc(NCc2cc(F)ccc2F)cc1S(N)(=O)=O.
What is the InChIKey of 5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide?
The InChIKey is QDFVBPXVPPHGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-9-2-4-12(7-14(9)21(17,19)20)18-8-10-6-11(15)3-5-13(10)16/h2-7,18H,8H2,1H3,(H2,17,19,20).
What are the key properties of 5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide?
5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 43312702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).