4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide

C11H13BrClNO3S — CID 60640063

IUPAC4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide
SMILESC=COCCCNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClNO3S/c1-2-17-7-3-6-14-18(15,16)11-5-4-9(12)8-10(11)13/h2,4-5,8,14H,1,3,6-7H2
InChIKeyXXKBLKULAGLMTP-UHFFFAOYSA-N
MW354.65 g/mol
LogP2.93
Rot. Bonds7

About 4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide

4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide (PubChem CID 60640063) has the molecular formula C11H13BrClNO3S and a molecular weight of 354.65 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide
PubChem CID60640063
Molecular FormulaC11H13BrClNO3S
Molecular Weight354.65 g/mol
Exact Mass352.95
IUPAC Name4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide
SMILESC=COCCCNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClNO3S/c1-2-17-7-3-6-14-18(15,16)11-5-4-9(12)8-10(11)13/h2,4-5,8,14H,1,3,6-7H2
InChIKeyXXKBLKULAGLMTP-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.65
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 61073372
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide
CID 61072193
4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 113238999
N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide
CID 106387039
4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide
CID 113271487
N-(3-ethenoxypropyl)naphthalene-1-sulfonamide
CID 114795784
4-bromo-2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide
CID 8025065
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide (CID 60640063) is 4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide is C=COCCCNS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide?
The InChIKey is XXKBLKULAGLMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO3S/c1-2-17-7-3-6-14-18(15,16)11-5-4-9(12)8-10(11)13/h2,4-5,8,14H,1,3,6-7H2.
What are the key properties of 4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide?
4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide has a molecular weight of 354.65 g/mol, XLogP of 2.93, 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-(3-ethenoxypropyl)benzenesulfonamide is sourced from PubChem (CID 60640063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).