3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide

C14H15BrN2O2S — CID 43102327

IUPAC3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide
SMILESCC(Nc1cccc(S(N)(=O)=O)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2S/c1-10(11-5-7-12(15)8-6-11)17-13-3-2-4-14(9-13)20(16,18)19/h2-10,17H,1H3,(H2,16,18,19)
InChIKeyJHXBKMJKQBFWSJ-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.27
Rot. Bonds4

About 3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide

3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide (PubChem CID 43102327) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide
PubChem CID43102327
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide
SMILESCC(Nc1cccc(S(N)(=O)=O)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2S/c1-10(11-5-7-12(15)8-6-11)17-13-3-2-4-14(9-13)20(16,18)19/h2-10,17H,1H3,(H2,16,18,19)
InChIKeyJHXBKMJKQBFWSJ-UHFFFAOYSA-N
XLogP3.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 43193565
3-N-[1-(4-bromophenyl)ethyl]benzene-1,3-diamine
CID 54965501
5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide
CID 43105910
3-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 43193566
3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide
CID 43098562
3-[1-(4-bromophenyl)ethylamino]phenol
CID 43206955
3-[1-(3-ethylanilino)ethyl]benzenesulfonamide
CID 43765077
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3-[1-(3-ethynylanilino)ethyl]benzenesulfonamide
CID 43755444
3-[1-(4-bromophenyl)ethylamino]benzoic acid
CID 43139392
3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide
CID 43761251

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide?
The IUPAC name of 3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide (CID 43102327) is 3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide?
The canonical SMILES for 3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide is CC(Nc1cccc(S(N)(=O)=O)c1)c1ccc(Br)cc1.
What is the InChIKey of 3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide?
The InChIKey is JHXBKMJKQBFWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-10(11-5-7-12(15)8-6-11)17-13-3-2-4-14(9-13)20(16,18)19/h2-10,17H,1H3,(H2,16,18,19).
What are the key properties of 3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide?
3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 43102327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).