2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide

C11H14Cl3NO3S — CID 114163434

IUPAC2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl3NO3S/c1-18-7-9(13)4-5-15-19(16,17)11-6-8(12)2-3-10(11)14/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyDZWBOACVLQQTMO-UHFFFAOYSA-N
MW346.66 g/mol
LogP2.92
Rot. Bonds7

About 2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide

2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide (PubChem CID 114163434) has the molecular formula C11H14Cl3NO3S and a molecular weight of 346.66 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide
PubChem CID114163434
Molecular FormulaC11H14Cl3NO3S
Molecular Weight346.66 g/mol
Exact Mass344.98
IUPAC Name2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl3NO3S/c1-18-7-9(13)4-5-15-19(16,17)11-6-8(12)2-3-10(11)14/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyDZWBOACVLQQTMO-UHFFFAOYSA-N
XLogP2.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.66
LogP ≤ 52.92
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

2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide
CID 114163439
N-(3-chloro-4-methoxybutyl)-2,5-dimethylbenzenesulfonamide
CID 106245434
4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide
CID 106245450
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033412
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
N-(3-chloro-4-methoxybutyl)-4-methoxybenzenesulfonamide
CID 106245506
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110759335
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708
2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 107849099

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide (CID 114163434) is 2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide is COCC(Cl)CCNS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide?
The InChIKey is DZWBOACVLQQTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3NO3S/c1-18-7-9(13)4-5-15-19(16,17)11-6-8(12)2-3-10(11)14/h2-3,6,9,15H,4-5,7H2,1H3.
What are the key properties of 2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide?
2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide has a molecular weight of 346.66 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide is sourced from PubChem (CID 114163434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).