2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide

C14H22BrFN2O2S — CID 106491360

IUPAC2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C14H22BrFN2O2S/c1-3-5-7-18(8-6-4-2)21(19,20)14-9-11(15)12(16)10-13(14)17/h9-10H,3-8,17H2,1-2H3
InChIKeyPCWYOCRBPDGSEJ-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.76
Rot. Bonds8

About 2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide

2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide (PubChem CID 106491360) has the molecular formula C14H22BrFN2O2S and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide
PubChem CID106491360
Molecular FormulaC14H22BrFN2O2S
Molecular Weight381.31 g/mol
Exact Mass380.06
IUPAC Name2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C14H22BrFN2O2S/c1-3-5-7-18(8-6-4-2)21(19,20)14-9-11(15)12(16)10-13(14)17/h9-10H,3-8,17H2,1-2H3
InChIKeyPCWYOCRBPDGSEJ-UHFFFAOYSA-N
XLogP3.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.76
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-dibutyl-2,4-difluorobenzenesulfonamide
CID 28982353
2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
CID 106491371
2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 106491295
2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 106491819
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106491921
2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111458
2-amino-5-bromo-N-(2-cyanoethyl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 106491549
4-bromo-5-fluoro-2-methylsulfonylaniline
CID 116736764
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106491530
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106491946

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide (CID 106491360) is 2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide is CCCCN(CCCC)S(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide?
The InChIKey is PCWYOCRBPDGSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrFN2O2S/c1-3-5-7-18(8-6-4-2)21(19,20)14-9-11(15)12(16)10-13(14)17/h9-10H,3-8,17H2,1-2H3.
What are the key properties of 2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide?
2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide has a molecular weight of 381.31 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106491360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).