2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide

C10H13ClN2O3S — CID 166403944

IUPAC2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1ccccc1NC(=O)CCl)S(C)(=O)=O
InChIInChI=1S/C10H13ClN2O3S/c1-13(17(2,15)16)9-6-4-3-5-8(9)12-10(14)7-11/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyKLEPWGKVGAOGEE-UHFFFAOYSA-N
MW276.75 g/mol
LogP1.26
Rot. Bonds4

About 2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide

2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 166403944) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID166403944
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1ccccc1NC(=O)CCl)S(C)(=O)=O
InChIInChI=1S/C10H13ClN2O3S/c1-13(17(2,15)16)9-6-4-3-5-8(9)12-10(14)7-11/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyKLEPWGKVGAOGEE-UHFFFAOYSA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.26
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

2-(3-fluorophenyl)-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 113093511
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
(3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124588262
(3S)-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]azepane-1-carboxamide
CID 124619545
N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001301
2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 8559994
N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide
CID 71133041
N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55726000
N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 18144899
2-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 27001436
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 166403944) is 2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide is CN(c1ccccc1NC(=O)CCl)S(C)(=O)=O.
What is the InChIKey of 2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is KLEPWGKVGAOGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-13(17(2,15)16)9-6-4-3-5-8(9)12-10(14)7-11/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of 2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide?
2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 276.75 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 166403944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).