5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide

C14H22F2N2O2S — CID 28982353

IUPAC5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H22F2N2O2S/c1-3-5-7-18(8-6-4-2)21(19,20)14-10-13(17)11(15)9-12(14)16/h9-10H,3-8,17H2,1-2H3
InChIKeyCFYMIUURKBWRBX-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.14
Rot. Bonds8

About 5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide

5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide (PubChem CID 28982353) has the molecular formula C14H22F2N2O2S and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide
PubChem CID28982353
Molecular FormulaC14H22F2N2O2S
Molecular Weight320.40 g/mol
Exact Mass320.14
IUPAC Name5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H22F2N2O2S/c1-3-5-7-18(8-6-4-2)21(19,20)14-10-13(17)11(15)9-12(14)16/h9-10H,3-8,17H2,1-2H3
InChIKeyCFYMIUURKBWRBX-UHFFFAOYSA-N
XLogP3.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.14
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

5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
CID 29269932
2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide
CID 106491360
5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 55226750
3-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111452
5-amino-4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102990980
5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140112
5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 81052882
5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656575
5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61113928
5-amino-N,N-dibutyl-2,4-difluorobenzamide
CID 61095334
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806
3-amino-N-butyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105113

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide (CID 28982353) is 5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide is CCCCN(CCCC)S(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide?
The InChIKey is CFYMIUURKBWRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2S/c1-3-5-7-18(8-6-4-2)21(19,20)14-10-13(17)11(15)9-12(14)16/h9-10H,3-8,17H2,1-2H3.
What are the key properties of 5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide?
5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide has a molecular weight of 320.40 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 28982353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).