3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide

C11H14Br2ClNO2S — CID 107323027

IUPAC3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCCCCBr)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H14Br2ClNO2S/c12-6-2-1-3-7-15-18(16,17)9-4-5-11(14)10(13)8-9/h4-5,8,15H,1-3,6-7H2
InChIKeyXSOPINGEOQRWFJ-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.95
Rot. Bonds7

About 3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide

3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide (PubChem CID 107323027) has the molecular formula C11H14Br2ClNO2S and a molecular weight of 419.57 g/mol. Its IUPAC name is 3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide
PubChem CID107323027
Molecular FormulaC11H14Br2ClNO2S
Molecular Weight419.57 g/mol
Exact Mass416.88
IUPAC Name3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCCCCBr)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H14Br2ClNO2S/c12-6-2-1-3-7-15-18(16,17)9-4-5-11(14)10(13)8-9/h4-5,8,15H,1-3,6-7H2
InChIKeyXSOPINGEOQRWFJ-UHFFFAOYSA-N
XLogP3.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
CID 107323042
3-bromo-4-chloro-N-(7-methyloctyl)benzenesulfonamide
CID 106612008
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
3-bromo-4-chloro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 106611329
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
ethyl 4-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoate
CID 106545378
3-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoic acid
CID 106605107
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
3-bromo-4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106432524
3-bromo-4-chloro-N-[3-(1H-imidazol-2-yl)propyl]benzenesulfonamide
CID 106606470
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide?
The IUPAC name of 3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide (CID 107323027) is 3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide is O=S(=O)(NCCCCCBr)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide?
The InChIKey is XSOPINGEOQRWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2ClNO2S/c12-6-2-1-3-7-15-18(16,17)9-4-5-11(14)10(13)8-9/h4-5,8,15H,1-3,6-7H2.
What are the key properties of 3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide?
3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide has a molecular weight of 419.57 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 107323027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).