3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide

C14H14BrFN2O2S — CID 65437568

IUPAC3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H14BrFN2O2S/c1-9(17)10-3-2-4-12(7-10)21(19,20)18-11-5-6-13(15)14(16)8-11/h2-9,18H,17H2,1H3
InChIKeyHVSCARUPNMUDCI-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.41
Rot. Bonds4

About 3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide

3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide (PubChem CID 65437568) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
PubChem CID65437568
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H14BrFN2O2S/c1-9(17)10-3-2-4-12(7-10)21(19,20)18-11-5-6-13(15)14(16)8-11/h2-9,18H,17H2,1H3
InChIKeyHVSCARUPNMUDCI-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 43104208
N-[3-(1-aminoethyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 43167031
N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
CID 65430879
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107613406
4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107595189
4-bromo-3-fluoro-N-(propan-2-ylsulfamoyl)aniline
CID 114808831
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
3-amino-N-(4-bromo-3-fluorophenyl)-5-methylbenzenesulfonamide
CID 65437830
2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide
CID 65434879

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide (CID 65437568) is 3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide is CC(N)c1cccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide?
The InChIKey is HVSCARUPNMUDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-9(17)10-3-2-4-12(7-10)21(19,20)18-11-5-6-13(15)14(16)8-11/h2-9,18H,17H2,1H3.
What are the key properties of 3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide?
3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 65437568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).