2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine

C11H14BrNO2S — CID 117489402

IUPAC2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine
SMILESNCCc1ccc(S(=O)(=O)C2CC2)c(Br)c1
InChIInChI=1S/C11H14BrNO2S/c12-10-7-8(5-6-13)1-4-11(10)16(14,15)9-2-3-9/h1,4,7,9H,2-3,5-6,13H2
InChIKeyDSSSGOBNCBSCQO-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.89
Rot. Bonds4

About 2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine

2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine (PubChem CID 117489402) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine
PubChem CID117489402
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine
SMILESNCCc1ccc(S(=O)(=O)C2CC2)c(Br)c1
InChIInChI=1S/C11H14BrNO2S/c12-10-7-8(5-6-13)1-4-11(10)16(14,15)9-2-3-9/h1,4,7,9H,2-3,5-6,13H2
InChIKeyDSSSGOBNCBSCQO-UHFFFAOYSA-N
XLogP1.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-cyclopropylsulfonylbenzaldehyde
CID 84715564
3-bromo-4-cyclopropylsulfonylbenzonitrile
CID 117460728
[3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol
CID 117492183
(4-cyclopropylsulfonyl-3-fluorophenyl)methanol
CID 84693412
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 84785221
2-(4-bromo-3-fluorophenyl)ethanamine
CID 66915310
4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide
CID 114134360
[3-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 103541562
5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline
CID 81184103
5-bromo-2-cyclopentylsulfonylaniline
CID 81185345
2-(3-bromo-4-ethenylphenyl)ethanamine
CID 130050945

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine (CID 117489402) is 2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine is NCCc1ccc(S(=O)(=O)C2CC2)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine?
The InChIKey is DSSSGOBNCBSCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c12-10-7-8(5-6-13)1-4-11(10)16(14,15)9-2-3-9/h1,4,7,9H,2-3,5-6,13H2.
What are the key properties of 2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine?
2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine has a molecular weight of 304.21 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine is sourced from PubChem (CID 117489402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).