5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline

C14H20BrNO2S — CID 81184103

IUPAC5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline
SMILESCCC1CCC(S(=O)(=O)c2ccc(Br)cc2N)CC1
InChIInChI=1S/C14H20BrNO2S/c1-2-10-3-6-12(7-4-10)19(17,18)14-8-5-11(15)9-13(14)16/h5,8-10,12H,2-4,6-7,16H2,1H3
InChIKeyAPKXHQVRHGPUHE-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.77
Rot. Bonds3

About 5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline

5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline (PubChem CID 81184103) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is 5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline.

Molecular Properties

Compound Name5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline
PubChem CID81184103
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline
SMILESCCC1CCC(S(=O)(=O)c2ccc(Br)cc2N)CC1
InChIInChI=1S/C14H20BrNO2S/c1-2-10-3-6-12(7-4-10)19(17,18)14-8-5-11(15)9-13(14)16/h5,8-10,12H,2-4,6-7,16H2,1H3
InChIKeyAPKXHQVRHGPUHE-UHFFFAOYSA-N
XLogP3.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-cyclopentylsulfonylaniline
CID 81185345
5-bromo-2-(3,4-dimethylcyclohexyl)sulfonylaniline
CID 81184934
2-amino-5-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63402228
5-bromo-2-(3-methoxycyclohexyl)sulfonylaniline
CID 81184946
2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide
CID 63988907
5-bromo-2-(4-ethylcyclohexyl)sulfanylaniline
CID 64749505
5-bromo-2-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylaniline
CID 61116799
4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 63420302
5-bromo-2-methylsulfonylaniline;ethane
CID 145185380
5-bromo-2-butan-2-ylsulfonylaniline
CID 81185112
4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine
CID 65343384
2-amino-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
CID 79466437

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline?
The IUPAC name of 5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline (CID 81184103) is 5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline.
What is the SMILES notation for 5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline?
The canonical SMILES for 5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline is CCC1CCC(S(=O)(=O)c2ccc(Br)cc2N)CC1.
What is the InChIKey of 5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline?
The InChIKey is APKXHQVRHGPUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-2-10-3-6-12(7-4-10)19(17,18)14-8-5-11(15)9-13(14)16/h5,8-10,12H,2-4,6-7,16H2,1H3.
What are the key properties of 5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline?
5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline has a molecular weight of 346.29 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline is sourced from PubChem (CID 81184103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).