4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide

C15H17BrN2O2S — CID 43426311

IUPAC4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
SMILESCC(NCc1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-11(18-10-12-2-6-14(16)7-3-12)13-4-8-15(9-5-13)21(17,19)20/h2-9,11,18H,10H2,1H3,(H2,17,19,20)
InChIKeyGLNIRQLPEJJDNR-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.95
Rot. Bonds5

About 4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide

4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide (PubChem CID 43426311) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
PubChem CID43426311
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
SMILESCC(NCc1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-11(18-10-12-2-6-14(16)7-3-12)13-4-8-15(9-5-13)21(17,19)20/h2-9,11,18H,10H2,1H3,(H2,17,19,20)
InChIKeyGLNIRQLPEJJDNR-UHFFFAOYSA-N
XLogP2.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(3-bromophenyl)ethylamino]methyl]benzenesulfonamide
CID 43096431
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide
CID 43093327
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]benzoic acid
CID 81354918
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzoic acid
CID 81353874
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
4-[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 102832081
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163
4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615150

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide (CID 43426311) is 4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide is CC(NCc1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is GLNIRQLPEJJDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11(18-10-12-2-6-14(16)7-3-12)13-4-8-15(9-5-13)21(17,19)20/h2-9,11,18H,10H2,1H3,(H2,17,19,20).
What are the key properties of 4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide?
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 43426311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).