4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide

C14H14BrFN2O2S — CID 107868868

IUPAC4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(N)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrFN2O2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)12-6-7-14(17)13(16)8-12/h2-9,18H,17H2,1H3/t9-/m1/s1
InChIKeyDFSHCXQISWJEQH-SECBINFHSA-N
MW373.25 g/mol
LogP3.21
Rot. Bonds4

About 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide

4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 107868868) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
PubChem CID107868868
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(N)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrFN2O2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)12-6-7-14(17)13(16)8-12/h2-9,18H,17H2,1H3/t9-/m1/s1
InChIKeyDFSHCXQISWJEQH-SECBINFHSA-N
XLogP3.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868995
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103697593
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide
CID 107868859
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83177701
4-amino-N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 82844080

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide (CID 107868868) is 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(N)c(F)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is DFSHCXQISWJEQH-SECBINFHSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)12-6-7-14(17)13(16)8-12/h2-9,18H,17H2,1H3/t9-/m1/s1.
What are the key properties of 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide?
4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 107868868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).