N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide

C9H10BrCl2NO2S — CID 43654223

IUPACN-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrCl2NO2S/c10-7-2-3-9(8(12)6-7)13-16(14,15)5-1-4-11/h2-3,6,13H,1,4-5H2
InChIKeyILADFDLDESARTR-UHFFFAOYSA-N
MW347.06 g/mol
LogP3.47
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide

N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide (PubChem CID 43654223) has the molecular formula C9H10BrCl2NO2S and a molecular weight of 347.06 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide
PubChem CID43654223
Molecular FormulaC9H10BrCl2NO2S
Molecular Weight347.06 g/mol
Exact Mass344.90
IUPAC NameN-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrCl2NO2S/c10-7-2-3-9(8(12)6-7)13-16(14,15)5-1-4-11/h2-3,6,13H,1,4-5H2
InChIKeyILADFDLDESARTR-UHFFFAOYSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.06
LogP ≤ 53.47
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-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572
N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972468
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
CID 104725031
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide
CID 107650897
3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide
CID 43654466
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 43237000
4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 106003329
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816507
3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide
CID 60910330
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide (CID 43654223) is N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide is O=S(=O)(CCCCl)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide?
The InChIKey is ILADFDLDESARTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl2NO2S/c10-7-2-3-9(8(12)6-7)13-16(14,15)5-1-4-11/h2-3,6,13H,1,4-5H2.
What are the key properties of N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide?
N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide has a molecular weight of 347.06 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide is sourced from PubChem (CID 43654223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).