N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide

C11H16ClNO3S — CID 65030956

IUPACN-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(CCCl)cc1
InChIInChI=1S/C11H16ClNO3S/c1-16-8-9-17(14,15)13-11-4-2-10(3-5-11)6-7-12/h2-5,13H,6-9H2,1H3
InChIKeyUQFKMEKOOJNNHI-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.86
Rot. Bonds7

About N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide

N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide (PubChem CID 65030956) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
PubChem CID65030956
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC NameN-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(CCCl)cc1
InChIInChI=1S/C11H16ClNO3S/c1-16-8-9-17(14,15)13-11-4-2-10(3-5-11)6-7-12/h2-5,13H,6-9H2,1H3
InChIKeyUQFKMEKOOJNNHI-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
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-[4-(2-chloroethyl)phenyl]-1-methylsulfonylmethanesulfonamide
CID 82843186
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide
CID 110300131
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
CID 116815790
methyl N-[[4-(2-chloroethyl)phenyl]sulfamoyl]carbamate
CID 114466351
3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
CID 61250073
N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide
CID 76938646
2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid
CID 79001403
N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
CID 55009496
N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
CID 79768293
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110302048
2-amino-N-(4-propylphenyl)ethanesulfonamide
CID 43378670

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide (CID 65030956) is N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1ccc(CCCl)cc1.
What is the InChIKey of N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide?
The InChIKey is UQFKMEKOOJNNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-16-8-9-17(14,15)13-11-4-2-10(3-5-11)6-7-12/h2-5,13H,6-9H2,1H3.
What are the key properties of N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide?
N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 65030956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).