2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide

C13H20BrNO4S — CID 9185817

IUPAC2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C13H20BrNO4S/c1-4-5-6-7-15-20(16,17)13-9-12(19-3)11(18-2)8-10(13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyINZNRKHMPVJGKI-UHFFFAOYSA-N
MW366.28 g/mol
LogP2.93
Rot. Bonds8

About 2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide

2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide (PubChem CID 9185817) has the molecular formula C13H20BrNO4S and a molecular weight of 366.28 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide
PubChem CID9185817
Molecular FormulaC13H20BrNO4S
Molecular Weight366.28 g/mol
Exact Mass365.03
IUPAC Name2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C13H20BrNO4S/c1-4-5-6-7-15-20(16,17)13-9-12(19-3)11(18-2)8-10(13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyINZNRKHMPVJGKI-UHFFFAOYSA-N
XLogP2.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-3,4-dimethoxybenzenesulfonamide
CID 3243273
4-(2-Bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 45835976
N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
CID 71888734
N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 1184065
2-bromo-4,5-dimethoxy-N-methylbenzene-1-sulfonamide
CID 9186307
2-Bromo-4,5-dimethoxy-1-[(4-methylpiperazinyl)sulfonyl]benzene
CID 1184066
2-Bromo-4,5-dimethoxybenzene-1-sulfonyl chloride
CID 4962475
4-(2-Bromo-4,5-dimethoxyphenyl)sulfonylmorpholine
CID 990999
N-(3-aminopropyl)-2-bromo-5-methoxybenzenesulfonamide
CID 86780605
2-bromo-N-[(4-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide
CID 9186924
3,4-dimethoxy-N-propylbenzenesulfonamide
CID 1815764
2-Bromo-4,5-dimethoxybenzenesulfonamide
CID 4962584

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide (CID 9185817) is 2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide?
The InChIKey is INZNRKHMPVJGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO4S/c1-4-5-6-7-15-20(16,17)13-9-12(19-3)11(18-2)8-10(13)14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide?
2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide has a molecular weight of 366.28 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxy-N-pentylbenzenesulfonamide is sourced from PubChem (CID 9185817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).