3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide

C13H18F2N2O2S — CID 107343278

IUPAC3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C13H18F2N2O2S/c1-2-3-8-17(9-4-5-9)20(18,19)11-7-6-10(14)13(16)12(11)15/h6-7,9H,2-5,8,16H2,1H3
InChIKeyGHLWUYUJZONEKW-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.50
Rot. Bonds6

About 3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide

3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide (PubChem CID 107343278) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide
PubChem CID107343278
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C13H18F2N2O2S/c1-2-3-8-17(9-4-5-9)20(18,19)11-7-6-10(14)13(16)12(11)15/h6-7,9H,2-5,8,16H2,1H3
InChIKeyGHLWUYUJZONEKW-UHFFFAOYSA-N
XLogP2.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide
CID 107343147
4-amino-2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 55139512
N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 79186883
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63288985
2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 61059668
2-amino-N-butyl-N-cyclopropyl-3,6-dimethylbenzenesulfonamide
CID 103171231
2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 60751139
3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343235
N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63239480
3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide
CID 114625279
3-amino-N-butyl-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61112985

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide (CID 107343278) is 3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide is CCCCN(C1CC1)S(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide?
The InChIKey is GHLWUYUJZONEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-2-3-8-17(9-4-5-9)20(18,19)11-7-6-10(14)13(16)12(11)15/h6-7,9H,2-5,8,16H2,1H3.
What are the key properties of 3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide?
3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 107343278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).