5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide

C9H9BrClNO3S — CID 22756393

IUPAC5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide
SMILESCC(Br)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H9BrClNO3S/c1-5(10)9(13)6-2-3-7(11)8(4-6)16(12,14)15/h2-5H,1H3,(H2,12,14,15)
InChIKeyRBICFUXLAZTESJ-UHFFFAOYSA-N
MW326.60 g/mol
LogP1.95
Rot. Bonds3

About 5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide

5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide (PubChem CID 22756393) has the molecular formula C9H9BrClNO3S and a molecular weight of 326.60 g/mol. Its IUPAC name is 5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide
PubChem CID22756393
Molecular FormulaC9H9BrClNO3S
Molecular Weight326.60 g/mol
Exact Mass324.92
IUPAC Name5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide
SMILESCC(Br)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H9BrClNO3S/c1-5(10)9(13)6-2-3-7(11)8(4-6)16(12,14)15/h2-5H,1H3,(H2,12,14,15)
InChIKeyRBICFUXLAZTESJ-UHFFFAOYSA-N
XLogP1.95
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.60
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 4-chloro-3-sulfamoylbenzoate
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4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
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1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate
CID 18083132
2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
CID 58107414
2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride
CID 174942395
2-ethylbutyl 4-chloro-3-sulfamoylbenzoate
CID 114208715
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate
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4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride
CID 19096090

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide (CID 22756393) is 5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide is CC(Br)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide?
The InChIKey is RBICFUXLAZTESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO3S/c1-5(10)9(13)6-2-3-7(11)8(4-6)16(12,14)15/h2-5H,1H3,(H2,12,14,15).
What are the key properties of 5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide?
5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide has a molecular weight of 326.60 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 22756393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).