4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide

C11H15BrClNO3S — CID 61073372

IUPAC4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClNO3S/c1-17-7-3-2-6-14-18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeySGUQUUPXSCOFEE-UHFFFAOYSA-N
MW356.67 g/mol
LogP2.81
Rot. Bonds7

About 4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide

4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide (PubChem CID 61073372) has the molecular formula C11H15BrClNO3S and a molecular weight of 356.67 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
PubChem CID61073372
Molecular FormulaC11H15BrClNO3S
Molecular Weight356.67 g/mol
Exact Mass354.96
IUPAC Name4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClNO3S/c1-17-7-3-2-6-14-18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeySGUQUUPXSCOFEE-UHFFFAOYSA-N
XLogP2.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide
CID 60640063
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 113238999
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708
4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide
CID 113271487
N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide
CID 106387039
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717944
3-(aminomethyl)-2,4-dichloro-N-(5-methoxypentyl)benzenesulfonamide
CID 106092715
5-(aminomethyl)-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 106053951
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
CID 83039829

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide (CID 61073372) is 4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide is COCCCCNS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide?
The InChIKey is SGUQUUPXSCOFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO3S/c1-17-7-3-2-6-14-18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide?
4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide has a molecular weight of 356.67 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide is sourced from PubChem (CID 61073372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).