2-chloro-N-(3-propoxyphenyl)ethanesulfonamide

C11H16ClNO3S — CID 107651359

IUPAC2-chloro-N-(3-propoxyphenyl)ethanesulfonamide
SMILESCCCOc1cccc(NS(=O)(=O)CCCl)c1
InChIInChI=1S/C11H16ClNO3S/c1-2-7-16-11-5-3-4-10(9-11)13-17(14,15)8-6-12/h3-5,9,13H,2,6-8H2,1H3
InChIKeySSFDTHYPSDCVML-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.46
Rot. Bonds7

About 2-chloro-N-(3-propoxyphenyl)ethanesulfonamide

2-chloro-N-(3-propoxyphenyl)ethanesulfonamide (PubChem CID 107651359) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-chloro-N-(3-propoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-propoxyphenyl)ethanesulfonamide
PubChem CID107651359
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name2-chloro-N-(3-propoxyphenyl)ethanesulfonamide
SMILESCCCOc1cccc(NS(=O)(=O)CCCl)c1
InChIInChI=1S/C11H16ClNO3S/c1-2-7-16-11-5-3-4-10(9-11)13-17(14,15)8-6-12/h3-5,9,13H,2,6-8H2,1H3
InChIKeySSFDTHYPSDCVML-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 107651567
2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide
CID 107651420
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 39373158
N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
CID 64593310
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
N-(3-methylphenyl)-2-phenoxyethanesulfonamide
CID 90518173
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid
CID 63245735
N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 61062339
N-phenyl-3-propoxyaniline
CID 71334741
2-chloro-N-[3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 107651406

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-propoxyphenyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(3-propoxyphenyl)ethanesulfonamide (CID 107651359) is 2-chloro-N-(3-propoxyphenyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-propoxyphenyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(3-propoxyphenyl)ethanesulfonamide is CCCOc1cccc(NS(=O)(=O)CCCl)c1.
What is the InChIKey of 2-chloro-N-(3-propoxyphenyl)ethanesulfonamide?
The InChIKey is SSFDTHYPSDCVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-2-7-16-11-5-3-4-10(9-11)13-17(14,15)8-6-12/h3-5,9,13H,2,6-8H2,1H3.
What are the key properties of 2-chloro-N-(3-propoxyphenyl)ethanesulfonamide?
2-chloro-N-(3-propoxyphenyl)ethanesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-propoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 107651359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).