4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide

C10H12Br2ClNO3S — CID 113271487

IUPAC4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide
SMILESCOCC(Br)CNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H12Br2ClNO3S/c1-17-6-8(12)5-14-18(15,16)10-3-2-7(11)4-9(10)13/h2-4,8,14H,5-6H2,1H3
InChIKeyWWEHEMGRFUVHOO-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.79
Rot. Bonds6

About 4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide

4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide (PubChem CID 113271487) has the molecular formula C10H12Br2ClNO3S and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide
PubChem CID113271487
Molecular FormulaC10H12Br2ClNO3S
Molecular Weight421.54 g/mol
Exact Mass418.86
IUPAC Name4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide
SMILESCOCC(Br)CNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H12Br2ClNO3S/c1-17-6-8(12)5-14-18(15,16)10-3-2-7(11)4-9(10)13/h2-4,8,14H,5-6H2,1H3
InChIKeyWWEHEMGRFUVHOO-UHFFFAOYSA-N
XLogP2.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.79
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

4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 61073372
4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153584
4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide
CID 82714564
4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 113318776
4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide
CID 114298824
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
methyl 4-[(4-bromo-2-chlorophenyl)sulfonylamino]benzoate
CID 7938713
N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide
CID 114795672
4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide
CID 60640063
4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 55735040
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide (CID 113271487) is 4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide is COCC(Br)CNS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide?
The InChIKey is WWEHEMGRFUVHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2ClNO3S/c1-17-6-8(12)5-14-18(15,16)10-3-2-7(11)4-9(10)13/h2-4,8,14H,5-6H2,1H3.
What are the key properties of 4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide?
4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide has a molecular weight of 421.54 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 113271487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).