2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide

C10H13ClN2O3S — CID 114231798

IUPAC2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1N
InChIInChI=1S/C10H13ClN2O3S/c1-13-10(14)6-17(15,16)5-7-2-3-8(11)4-9(7)12/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyLMMIEZSYFGSIRP-UHFFFAOYSA-N
MW276.75 g/mol
LogP0.58
Rot. Bonds4

About 2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide

2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide (PubChem CID 114231798) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide
PubChem CID114231798
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1N
InChIInChI=1S/C10H13ClN2O3S/c1-13-10(14)6-17(15,16)5-7-2-3-8(11)4-9(7)12/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyLMMIEZSYFGSIRP-UHFFFAOYSA-N
XLogP0.58
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide
CID 47162178
1-(2-amino-4-chlorophenyl)propan-2-one
CID 118813133
N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
CID 43444676
2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide
CID 81180842
2-(2-amino-4-chlorophenyl)acetaldehyde
CID 87129897
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61138545
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 54888765
2-[(4-carbamothioylphenyl)methylsulfonyl]-N-methylacetamide
CID 82178533
N-(2-aminoethyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 103291290
5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfonylmethyl)aniline
CID 62100466
3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide
CID 106914437

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide?
The IUPAC name of 2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide (CID 114231798) is 2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide is CNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1N.
What is the InChIKey of 2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide?
The InChIKey is LMMIEZSYFGSIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-13-10(14)6-17(15,16)5-7-2-3-8(11)4-9(7)12/h2-4H,5-6,12H2,1H3,(H,13,14).
What are the key properties of 2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide?
2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide has a molecular weight of 276.75 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide is sourced from PubChem (CID 114231798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).