2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide

C11H16ClNO4S — CID 107650750

IUPAC2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CCCl)cc1OC
InChIInChI=1S/C11H16ClNO4S/c1-3-17-10-5-4-9(8-11(10)16-2)13-18(14,15)7-6-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyUNUXGKIHSWFYAF-UHFFFAOYSA-N
MW293.77 g/mol
LogP2.07
Rot. Bonds7

About 2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide

2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide (PubChem CID 107650750) has the molecular formula C11H16ClNO4S and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide
PubChem CID107650750
Molecular FormulaC11H16ClNO4S
Molecular Weight293.77 g/mol
Exact Mass293.05
IUPAC Name2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CCCl)cc1OC
InChIInChI=1S/C11H16ClNO4S/c1-3-17-10-5-4-9(8-11(10)16-2)13-18(14,15)7-6-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyUNUXGKIHSWFYAF-UHFFFAOYSA-N
XLogP2.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830
N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide
CID 62997998
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
1,2-diethoxy-4-(sulfamoylamino)benzene
CID 112573189
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 107650806
N-(4-ethoxy-3-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917021
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide
CID 110777401
N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106087751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide (CID 107650750) is 2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide is CCOc1ccc(NS(=O)(=O)CCCl)cc1OC.
What is the InChIKey of 2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide?
The InChIKey is UNUXGKIHSWFYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S/c1-3-17-10-5-4-9(8-11(10)16-2)13-18(14,15)7-6-12/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide?
2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide has a molecular weight of 293.77 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 107650750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).