5-(1-bromoethyl)-2-chlorobenzenesulfonamide

C8H9BrClNO2S — CID 121378061

IUPAC5-(1-bromoethyl)-2-chlorobenzenesulfonamide
SMILESCC(Br)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C8H9BrClNO2S/c1-5(9)6-2-3-7(10)8(4-6)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
InChIKeyQGOQKAWSUDNJKQ-UHFFFAOYSA-N
MW298.59 g/mol
LogP2.44
Rot. Bonds2

About 5-(1-bromoethyl)-2-chlorobenzenesulfonamide

5-(1-bromoethyl)-2-chlorobenzenesulfonamide (PubChem CID 121378061) has the molecular formula C8H9BrClNO2S and a molecular weight of 298.59 g/mol. Its IUPAC name is 5-(1-bromoethyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name5-(1-bromoethyl)-2-chlorobenzenesulfonamide
PubChem CID121378061
Molecular FormulaC8H9BrClNO2S
Molecular Weight298.59 g/mol
Exact Mass296.92
IUPAC Name5-(1-bromoethyl)-2-chlorobenzenesulfonamide
SMILESCC(Br)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C8H9BrClNO2S/c1-5(9)6-2-3-7(10)8(4-6)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
InChIKeyQGOQKAWSUDNJKQ-UHFFFAOYSA-N
XLogP2.44
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.59
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-m-toluenesulfonamide
CID 222557
2-Chloro-3-methylbenzene-1-sulfonamide
CID 71433015
Benzenesulfonyl chloride, 2-chloro-5-propyl-
CID 112756557
5-(Bromomethyl)-2-chlorobenzenesulfonyl fluoride
CID 303936
2-Chloro-4-fluoro-5-methylbenzenesulfonamide
CID 50998098
6-Chloro-2-fluoro-3-methylbenzenesulfonamide
CID 67530426
5-(2-Bromoethyl)-4-chloro-2-fluorobenzenesulfonamide
CID 174653018
5-(Bromomethyl)-2-chloro-4-fluorobenzenesulfonamide
CID 125467639
2-Chloro-5-propylbenzene-1-sulfonyl fluoride
CID 165453292
5-(Bromomethyl)-2-chlorobenzenesulfonamide
CID 18374393
5-(Bromomethyl)-2,4-dichlorobenzenesulfonamide
CID 18374447
2-Chloro-N,5-dimethylbenzene-1-sulfonamide
CID 20065508

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromoethyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 5-(1-bromoethyl)-2-chlorobenzenesulfonamide (CID 121378061) is 5-(1-bromoethyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 5-(1-bromoethyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 5-(1-bromoethyl)-2-chlorobenzenesulfonamide is CC(Br)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-(1-bromoethyl)-2-chlorobenzenesulfonamide?
The InChIKey is QGOQKAWSUDNJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO2S/c1-5(9)6-2-3-7(10)8(4-6)14(11,12)13/h2-5H,1H3,(H2,11,12,13).
What are the key properties of 5-(1-bromoethyl)-2-chlorobenzenesulfonamide?
5-(1-bromoethyl)-2-chlorobenzenesulfonamide has a molecular weight of 298.59 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromoethyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 121378061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).