2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide

C11H15BrClNO3S — CID 114171204

IUPAC2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCOCCCl)c1ccccc1Br
InChIInChI=1S/C11H15BrClNO3S/c12-10-4-1-2-5-11(10)18(15,16)14-7-3-8-17-9-6-13/h1-2,4-5,14H,3,6-9H2
InChIKeyMMTAGAFAVIERQP-UHFFFAOYSA-N
MW356.67 g/mol
LogP2.37
Rot. Bonds8

About 2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide

2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide (PubChem CID 114171204) has the molecular formula C11H15BrClNO3S and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide
PubChem CID114171204
Molecular FormulaC11H15BrClNO3S
Molecular Weight356.67 g/mol
Exact Mass354.96
IUPAC Name2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCOCCCl)c1ccccc1Br
InChIInChI=1S/C11H15BrClNO3S/c12-10-4-1-2-5-11(10)18(15,16)14-7-3-8-17-9-6-13/h1-2,4-5,14H,3,6-9H2
InChIKeyMMTAGAFAVIERQP-UHFFFAOYSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-bromo-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 47121896
2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide
CID 115600011
4-bromo-N-[3-(2-chloroethoxy)propyl]-2-fluorobenzenesulfonamide
CID 114171196
2-bromo-N-(5-chloro-4-methylpentyl)benzenesulfonamide
CID 106158915
N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide
CID 106305837
2-bromo-N-pent-4-ynylbenzenesulfonamide
CID 103698102
2-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698735
N-(3-butoxypropyl)-2-methylsulfonylbenzenesulfonamide
CID 55559217
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255
2-chloro-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
CID 86931251
2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide
CID 55100980
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide (CID 114171204) is 2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide is O=S(=O)(NCCCOCCCl)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide?
The InChIKey is MMTAGAFAVIERQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO3S/c12-10-4-1-2-5-11(10)18(15,16)14-7-3-8-17-9-6-13/h1-2,4-5,14H,3,6-9H2.
What are the key properties of 2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide?
2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide has a molecular weight of 356.67 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide is sourced from PubChem (CID 114171204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).