2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide

C10H14F2N2O2S — CID 105120228

IUPAC2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cc(F)c(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C10H14F2N2O2S/c1-2-3-14-6-7-4-8(11)10(12)9(5-7)17(13,15)16/h4-5,14H,2-3,6H2,1H3,(H2,13,15,16)
InChIKeyVPRWBVUNQLVWNE-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.11
Rot. Bonds5

About 2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide

2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide (PubChem CID 105120228) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide
PubChem CID105120228
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cc(F)c(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C10H14F2N2O2S/c1-2-3-14-6-7-4-8(11)10(12)9(5-7)17(13,15)16/h4-5,14H,2-3,6H2,1H3,(H2,13,15,16)
InChIKeyVPRWBVUNQLVWNE-UHFFFAOYSA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
CID 105120231
N-butyl-2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide
CID 105120214
5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide
CID 105120027
3-[(3,4,5-trifluorophenyl)methylamino]propane-1-sulfonamide
CID 63052426
5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 102920511
CID 171637673
CID 171637673
N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide
CID 103643821
5-(propylaminomethyl)benzene-1,2,3-triol
CID 160666536
2,3-difluoro-5-methylbenzenesulfonamide
CID 119018924
N-cyclobutyl-5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
CID 105121638
2-benzyl-3-butoxy-5-(butylaminomethyl)benzenesulfonamide
CID 71388033
2-benzyl-3-butoxy-5-(butylaminomethyl)benzenesulfonamide;butan-1-amine
CID 159665178

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of 2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide (CID 105120228) is 2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide is CCCNCc1cc(F)c(F)c(S(N)(=O)=O)c1.
What is the InChIKey of 2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide?
The InChIKey is VPRWBVUNQLVWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-2-3-14-6-7-4-8(11)10(12)9(5-7)17(13,15)16/h4-5,14H,2-3,6H2,1H3,(H2,13,15,16).
What are the key properties of 2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide?
2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide has a molecular weight of 264.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 105120228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).