3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide

C16H18BrNO2S — CID 60639559

IUPAC3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
SMILESCCc1ccc(C(C)NS(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H18BrNO2S/c1-3-13-7-9-14(10-8-13)12(2)18-21(19,20)16-6-4-5-15(17)11-16/h4-12,18H,3H2,1-2H3
InChIKeyPEPZSSPROREVSG-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.05
Rot. Bonds5

About 3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide

3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide (PubChem CID 60639559) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
PubChem CID60639559
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
SMILESCCc1ccc(C(C)NS(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H18BrNO2S/c1-3-13-7-9-14(10-8-13)12(2)18-21(19,20)16-6-4-5-15(17)11-16/h4-12,18H,3H2,1-2H3
InChIKeyPEPZSSPROREVSG-UHFFFAOYSA-N
XLogP4.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 55681636
N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
CID 22200980
3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
3-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64642680
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100500705
3-bromo-N-(1-cyanobutan-2-yl)benzenesulfonamide
CID 62648307

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide (CID 60639559) is 3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide is CCc1ccc(C(C)NS(=O)(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide?
The InChIKey is PEPZSSPROREVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-3-13-7-9-14(10-8-13)12(2)18-21(19,20)16-6-4-5-15(17)11-16/h4-12,18H,3H2,1-2H3.
What are the key properties of 3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide?
3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 60639559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).