N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide

C11H14ClNO3S — CID 7131893

IUPACN-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)CCl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-17(15,16)13-7-6-9-2-4-10(5-3-9)11(14)8-12/h2-5,13H,6-8H2,1H3
InChIKeyAYNLOLMEXVSVJL-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.20
Rot. Bonds6

About N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide

N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide (PubChem CID 7131893) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide
PubChem CID7131893
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC NameN-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)CCl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-17(15,16)13-7-6-9-2-4-10(5-3-9)11(14)8-12/h2-5,13H,6-8H2,1H3
InChIKeyAYNLOLMEXVSVJL-UHFFFAOYSA-N
XLogP1.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.20
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-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
CID 110667350
N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811
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CID 22109501
N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide
CID 26682548
4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 167811683
N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 18100481
4-[2-(methanesulfonamido)ethyl]-N-(4-propan-2-ylphenyl)benzamide
CID 27007439
4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 42921742
N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 27005558
3-(4-chlorophenyl)-3-[[4-[2-(methanesulfonamido)ethyl]benzoyl]amino]propanoic acid
CID 167882502
4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 30480070
N-(2,5-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17457009

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide (CID 7131893) is N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(C(=O)CCl)cc1.
What is the InChIKey of N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide?
The InChIKey is AYNLOLMEXVSVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-17(15,16)13-7-6-9-2-4-10(5-3-9)11(14)8-12/h2-5,13H,6-8H2,1H3.
What are the key properties of N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide?
N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide has a molecular weight of 275.76 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 7131893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).