2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide

C10H13ClN2O3S — CID 166404140

IUPAC2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CCl)cc1NS(C)(=O)=O
InChIInChI=1S/C10H13ClN2O3S/c1-7-3-4-8(12-10(14)6-11)5-9(7)13-17(2,15)16/h3-5,13H,6H2,1-2H3,(H,12,14)
InChIKeyFXOHLCKNCXIFQG-UHFFFAOYSA-N
MW276.75 g/mol
LogP1.54
Rot. Bonds4

About 2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide

2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide (PubChem CID 166404140) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
PubChem CID166404140
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CCl)cc1NS(C)(=O)=O
InChIInChI=1S/C10H13ClN2O3S/c1-7-3-4-8(12-10(14)6-11)5-9(7)13-17(2,15)16/h3-5,13H,6H2,1-2H3,(H,12,14)
InChIKeyFXOHLCKNCXIFQG-UHFFFAOYSA-N
XLogP1.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 168520574
2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide
CID 15285980
4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
CID 146132998
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide
CID 2811607
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936303
N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide
CID 59878668
2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974815
N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide
CID 47062969
N-[3-tert-butyl-4-[(2-chloroacetyl)amino]phenyl]-2-chloroacetamide
CID 18630154

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide (CID 166404140) is 2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CCl)cc1NS(C)(=O)=O.
What is the InChIKey of 2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide?
The InChIKey is FXOHLCKNCXIFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-7-3-4-8(12-10(14)6-11)5-9(7)13-17(2,15)16/h3-5,13H,6H2,1-2H3,(H,12,14).
What are the key properties of 2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide?
2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide has a molecular weight of 276.75 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide is sourced from PubChem (CID 166404140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).