2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide

C13H16BrNO3S — CID 75415065

IUPAC2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CS(=O)(=O)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C13H16BrNO3S/c1-2-15(11-5-6-11)13(16)9-19(17,18)12-7-3-10(14)4-8-12/h3-4,7-8,11H,2,5-6,9H2,1H3
InChIKeyZJWKQFHMJWBJNE-UHFFFAOYSA-N
MW346.25 g/mol
LogP2.23
Rot. Bonds5

About 2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide

2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide (PubChem CID 75415065) has the molecular formula C13H16BrNO3S and a molecular weight of 346.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide
PubChem CID75415065
Molecular FormulaC13H16BrNO3S
Molecular Weight346.25 g/mol
Exact Mass345.00
IUPAC Name2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CS(=O)(=O)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C13H16BrNO3S/c1-2-15(11-5-6-11)13(16)9-19(17,18)12-7-3-10(14)4-8-12/h3-4,7-8,11H,2,5-6,9H2,1H3
InChIKeyZJWKQFHMJWBJNE-UHFFFAOYSA-N
XLogP2.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide (CID 75415065) is 2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CS(=O)(=O)c1ccc(Br)cc1)C1CC1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide?
The InChIKey is ZJWKQFHMJWBJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3S/c1-2-15(11-5-6-11)13(16)9-19(17,18)12-7-3-10(14)4-8-12/h3-4,7-8,11H,2,5-6,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide?
2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide has a molecular weight of 346.25 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 75415065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).