3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide

C9H9BrClNO2S — CID 106545113

IUPAC3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H9BrClNO2S/c10-8-5-7(3-4-9(8)11)15(13,14)12-6-1-2-6/h3-6,12H,1-2H2
InChIKeySJVSVKQBUCAMFN-UHFFFAOYSA-N
MW310.60 g/mol
LogP2.54
Rot. Bonds3

About 3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide

3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide (PubChem CID 106545113) has the molecular formula C9H9BrClNO2S and a molecular weight of 310.60 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide
PubChem CID106545113
Molecular FormulaC9H9BrClNO2S
Molecular Weight310.60 g/mol
Exact Mass308.92
IUPAC Name3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H9BrClNO2S/c10-8-5-7(3-4-9(8)11)15(13,14)12-6-1-2-6/h3-6,12H,1-2H2
InChIKeySJVSVKQBUCAMFN-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.60
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide (CID 106545113) is 3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide?
The InChIKey is SJVSVKQBUCAMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2S/c10-8-5-7(3-4-9(8)11)15(13,14)12-6-1-2-6/h3-6,12H,1-2H2.
What are the key properties of 3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide?
3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide has a molecular weight of 310.60 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 106545113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).