N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide

C11H14ClF2NO3S — CID 106305837

IUPACN-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCCOCCCl)c1cc(F)ccc1F
InChIInChI=1S/C11H14ClF2NO3S/c12-4-7-18-6-1-5-15-19(16,17)11-8-9(13)2-3-10(11)14/h2-3,8,15H,1,4-7H2
InChIKeyONIVJEQGGWPWCU-UHFFFAOYSA-N
MW313.75 g/mol
LogP1.89
Rot. Bonds8

About N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide

N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide (PubChem CID 106305837) has the molecular formula C11H14ClF2NO3S and a molecular weight of 313.75 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide
PubChem CID106305837
Molecular FormulaC11H14ClF2NO3S
Molecular Weight313.75 g/mol
Exact Mass313.04
IUPAC NameN-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCCOCCCl)c1cc(F)ccc1F
InChIInChI=1S/C11H14ClF2NO3S/c12-4-7-18-6-1-5-15-19(16,17)11-8-9(13)2-3-10(11)14/h2-3,8,15H,1,4-7H2
InChIKeyONIVJEQGGWPWCU-UHFFFAOYSA-N
XLogP1.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 51.89
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

4-bromo-N-[3-(2-chloroethoxy)propyl]-2-fluorobenzenesulfonamide
CID 114171196
N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide
CID 113271438
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
2,5-difluoro-N-pent-4-ynylbenzenesulfonamide
CID 103698123
5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110759335
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide
CID 114171204
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959
2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 104600560
N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide
CID 106135621
2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033412

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide (CID 106305837) is N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide is O=S(=O)(NCCCOCCCl)c1cc(F)ccc1F.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is ONIVJEQGGWPWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO3S/c12-4-7-18-6-1-5-15-19(16,17)11-8-9(13)2-3-10(11)14/h2-3,8,15H,1,4-7H2.
What are the key properties of N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide?
N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 313.75 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 106305837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).