N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide

C12H18ClNO3S — CID 110788916

IUPACN-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)CC)cc1Cl
InChIInChI=1S/C12H18ClNO3S/c1-3-17-12-6-5-10(9-11(12)13)7-8-14-18(15,16)4-2/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyOMVGQVYIGDNPIQ-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.22
Rot. Bonds7

About N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide

N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide (PubChem CID 110788916) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide
PubChem CID110788916
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC NameN-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)CC)cc1Cl
InChIInChI=1S/C12H18ClNO3S/c1-3-17-12-6-5-10(9-11(12)13)7-8-14-18(15,16)4-2/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyOMVGQVYIGDNPIQ-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-4-ethoxyphenyl)ethyl]propane-1-sulfonamide
CID 110788917
N-(bromomethyl)-2-(3-chloro-4-ethoxyphenyl)ethanamine
CID 115262221
N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 110787616
N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788129
3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 134043672
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480
N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide
CID 110790279
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide (CID 110788916) is N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide is CCOc1ccc(CCNS(=O)(=O)CC)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide?
The InChIKey is OMVGQVYIGDNPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-3-17-12-6-5-10(9-11(12)13)7-8-14-18(15,16)4-2/h5-6,9,14H,3-4,7-8H2,1-2H3.
What are the key properties of N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide?
N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110788916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).