N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide

C10H12BrCl2NO2S — CID 114298130

IUPACN-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide
SMILESCC(CBr)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12BrCl2NO2S/c1-7(5-11)6-14-17(15,16)10-3-8(12)2-9(13)4-10/h2-4,7,14H,5-6H2,1H3
InChIKeyCSGUYJBDBNDNNY-UHFFFAOYSA-N
MW361.09 g/mol
LogP3.30
Rot. Bonds5

About N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide

N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide (PubChem CID 114298130) has the molecular formula C10H12BrCl2NO2S and a molecular weight of 361.09 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide
PubChem CID114298130
Molecular FormulaC10H12BrCl2NO2S
Molecular Weight361.09 g/mol
Exact Mass358.91
IUPAC NameN-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide
SMILESCC(CBr)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12BrCl2NO2S/c1-7(5-11)6-14-17(15,16)10-3-8(12)2-9(13)4-10/h2-4,7,14H,5-6H2,1H3
InChIKeyCSGUYJBDBNDNNY-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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

3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824465
3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60531038
N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide
CID 63730553
N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 114298088
N-(3-bromo-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 114298119
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
CID 61287690
N-(3-bromo-2-methylpropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316093
[(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
CID 67276344
N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide
CID 106158647
3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25042571
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide (CID 114298130) is N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide is CC(CBr)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide?
The InChIKey is CSGUYJBDBNDNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO2S/c1-7(5-11)6-14-17(15,16)10-3-8(12)2-9(13)4-10/h2-4,7,14H,5-6H2,1H3.
What are the key properties of N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide?
N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide has a molecular weight of 361.09 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 114298130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).