2-(N-methyl-2-methylsulfonylanilino)acetic acid

C10H13NO4S — CID 43453480

IUPAC2-(N-methyl-2-methylsulfonylanilino)acetic acid
SMILESCN(CC(=O)O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-11(7-10(12)13)8-5-3-4-6-9(8)16(2,14)15/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyKXNFEZLDDGBJLJ-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.61
Rot. Bonds4

About 2-(N-methyl-2-methylsulfonylanilino)acetic acid

2-(N-methyl-2-methylsulfonylanilino)acetic acid (PubChem CID 43453480) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(N-methyl-2-methylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-methyl-2-methylsulfonylanilino)acetic acid
PubChem CID43453480
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-(N-methyl-2-methylsulfonylanilino)acetic acid
SMILESCN(CC(=O)O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-11(7-10(12)13)8-5-3-4-6-9(8)16(2,14)15/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyKXNFEZLDDGBJLJ-UHFFFAOYSA-N
XLogP0.61
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid
CID 43454434
2-(2-ethylsulfonyl-N-methylanilino)acetic acid
CID 43453508
1-(N-methyl-2-methylsulfonylanilino)propan-2-ol
CID 62335208
2-(2-bromo-N-methyl-6-methylsulfonylanilino)acetic acid
CID 120965273
N-(5-bromopentyl)-N-methyl-2-methylsulfonylaniline
CID 107205127
1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol
CID 115868665
2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid
CID 60829714
2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide
CID 133282320
3-(N-ethyl-2-methylsulfonylanilino)-2-methylpropanoic acid
CID 55123154
2-(N-methyl-3-methylsulfonyl-2-nitroanilino)acetamide
CID 133393473
N'-methyl-N-(2-methylpropyl)-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine
CID 62593915
N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine
CID 62587825

Frequently Asked Questions

What is the IUPAC name of 2-(N-methyl-2-methylsulfonylanilino)acetic acid?
The IUPAC name of 2-(N-methyl-2-methylsulfonylanilino)acetic acid (CID 43453480) is 2-(N-methyl-2-methylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(N-methyl-2-methylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(N-methyl-2-methylsulfonylanilino)acetic acid is CN(CC(=O)O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-(N-methyl-2-methylsulfonylanilino)acetic acid?
The InChIKey is KXNFEZLDDGBJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-11(7-10(12)13)8-5-3-4-6-9(8)16(2,14)15/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of 2-(N-methyl-2-methylsulfonylanilino)acetic acid?
2-(N-methyl-2-methylsulfonylanilino)acetic acid has a molecular weight of 243.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methyl-2-methylsulfonylanilino)acetic acid is sourced from PubChem (CID 43453480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).