N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide

C9H10BrCl2NO2S — CID 43167077

IUPACN-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NCCCBr)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H10BrCl2NO2S/c10-4-1-5-13-16(14,15)9-6-7(11)2-3-8(9)12/h2-3,6,13H,1,4-5H2
InChIKeyJNMLAKOZHGJUST-UHFFFAOYSA-N
MW347.06 g/mol
LogP3.06
Rot. Bonds5

About N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide

N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide (PubChem CID 43167077) has the molecular formula C9H10BrCl2NO2S and a molecular weight of 347.06 g/mol. Its IUPAC name is N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
PubChem CID43167077
Molecular FormulaC9H10BrCl2NO2S
Molecular Weight347.06 g/mol
Exact Mass344.90
IUPAC NameN-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NCCCBr)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H10BrCl2NO2S/c10-4-1-5-13-16(14,15)9-6-7(11)2-3-8(9)12/h2-3,6,13H,1,4-5H2
InChIKeyJNMLAKOZHGJUST-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.06
LogP ≤ 53.06
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-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 107849099
N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704321
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide
CID 62668104
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290
2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033412
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42388791
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231
N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2190292

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide (CID 43167077) is N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide is O=S(=O)(NCCCBr)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide?
The InChIKey is JNMLAKOZHGJUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl2NO2S/c10-4-1-5-13-16(14,15)9-6-7(11)2-3-8(9)12/h2-3,6,13H,1,4-5H2.
What are the key properties of N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide?
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide has a molecular weight of 347.06 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 43167077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).