2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide

C11H16ClNO3S — CID 107650948

IUPAC2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide
SMILESCCOc1cccc(CNS(=O)(=O)CCCl)c1
InChIInChI=1S/C11H16ClNO3S/c1-2-16-11-5-3-4-10(8-11)9-13-17(14,15)7-6-12/h3-5,8,13H,2,6-7,9H2,1H3
InChIKeyQYFBPROMHMZAHF-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.74
Rot. Bonds7

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

2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide (PubChem CID 107650948) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide
PubChem CID107650948
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide
SMILESCCOc1cccc(CNS(=O)(=O)CCCl)c1
InChIInChI=1S/C11H16ClNO3S/c1-2-16-11-5-3-4-10(8-11)9-13-17(14,15)7-6-12/h3-5,8,13H,2,6-7,9H2,1H3
InChIKeyQYFBPROMHMZAHF-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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

N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 92672631
N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905042
N-[(3-ethoxyphenyl)methyl]-2-ethylsulfonylethanamine
CID 60871815
1-(2-chloroethylsulfonyl)-3-ethoxybenzene
CID 59921489
5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872587
N-[(3-chlorophenyl)methyl]propane-1-sulfonamide
CID 47105679
3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
CID 54911342
N-ethoxy-1-(3-ethoxyphenyl)methanamine
CID 82709882
1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724266
4-chloro-N-[(3-fluorophenyl)methyl]butane-1-sulfonamide
CID 116815181
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
3-[[(3-ethoxyphenyl)methylamino]methyl]-N-methylbenzenesulfonamide
CID 56824122

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide (CID 107650948) is 2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide is CCOc1cccc(CNS(=O)(=O)CCCl)c1.
What is the InChIKey of 2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide?
The InChIKey is QYFBPROMHMZAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-2-16-11-5-3-4-10(8-11)9-13-17(14,15)7-6-12/h3-5,8,13H,2,6-7,9H2,1H3.
What are the key properties of 2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide?
2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.74, 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-ethoxyphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 107650948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).