N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide

C10H12BrCl2NO2S — CID 104725031

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)CCCCl)cc1Cl
InChIInChI=1S/C10H12BrCl2NO2S/c1-7-5-8(11)10(6-9(7)13)14-17(15,16)4-2-3-12/h5-6,14H,2-4H2,1H3
InChIKeyPYZQUBAQLLTEJE-UHFFFAOYSA-N
MW361.09 g/mol
LogP3.78
Rot. Bonds5

About N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide

N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide (PubChem CID 104725031) has the molecular formula C10H12BrCl2NO2S and a molecular weight of 361.09 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
PubChem CID104725031
Molecular FormulaC10H12BrCl2NO2S
Molecular Weight361.09 g/mol
Exact Mass358.91
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)CCCCl)cc1Cl
InChIInChI=1S/C10H12BrCl2NO2S/c1-7-5-8(11)10(6-9(7)13)14-17(15,16)4-2-3-12/h5-6,14H,2-4H2,1H3
InChIKeyPYZQUBAQLLTEJE-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.09
LogP ≤ 53.78
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

N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816507
N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078934
N-(2-bromo-5-chloro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106078956
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid
CID 104722416
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 104725034
N-(4-bromo-5-fluoro-2-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816604
3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
CID 104726640
N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide
CID 43654223
3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide
CID 43654466
N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide
CID 104724279
4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide (CID 104725031) is N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)CCCCl)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide?
The InChIKey is PYZQUBAQLLTEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO2S/c1-7-5-8(11)10(6-9(7)13)14-17(15,16)4-2-3-12/h5-6,14H,2-4H2,1H3.
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide?
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide has a molecular weight of 361.09 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide is sourced from PubChem (CID 104725031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).