N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide

C11H14BrCl2NO2S — CID 107323042

IUPACN-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(NCCCCCBr)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14BrCl2NO2S/c12-6-2-1-3-7-15-18(16,17)9-4-5-10(13)11(14)8-9/h4-5,8,15H,1-3,6-7H2
InChIKeyHECCGCSGZMBMAB-UHFFFAOYSA-N
MW375.12 g/mol
LogP3.84
Rot. Bonds7

About N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide

N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide (PubChem CID 107323042) has the molecular formula C11H14BrCl2NO2S and a molecular weight of 375.12 g/mol. Its IUPAC name is N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
PubChem CID107323042
Molecular FormulaC11H14BrCl2NO2S
Molecular Weight375.12 g/mol
Exact Mass372.93
IUPAC NameN-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(NCCCCCBr)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14BrCl2NO2S/c12-6-2-1-3-7-15-18(16,17)9-4-5-10(13)11(14)8-9/h4-5,8,15H,1-3,6-7H2
InChIKeyHECCGCSGZMBMAB-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.12
LogP ≤ 53.84
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

3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide
CID 107323027
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
3-bromo-4-chloro-N-(7-methyloctyl)benzenesulfonamide
CID 106612008
3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918322
3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033465
4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide
CID 167871892
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide (CID 107323042) is N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide is O=S(=O)(NCCCCCBr)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide?
The InChIKey is HECCGCSGZMBMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO2S/c12-6-2-1-3-7-15-18(16,17)9-4-5-10(13)11(14)8-9/h4-5,8,15H,1-3,6-7H2.
What are the key properties of N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide?
N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide has a molecular weight of 375.12 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 107323042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).