2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid

C11H15NO4S — CID 43361953

IUPAC2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid
SMILESCc1ccccc1C(C)NS(=O)(=O)CC(=O)O
InChIInChI=1S/C11H15NO4S/c1-8-5-3-4-6-10(8)9(2)12-17(15,16)7-11(13)14/h3-6,9,12H,7H2,1-2H3,(H,13,14)
InChIKeyFQOSGIQHVPCOQQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.06
Rot. Bonds5

About 2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid

2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid (PubChem CID 43361953) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid
PubChem CID43361953
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid
SMILESCc1ccccc1C(C)NS(=O)(=O)CC(=O)O
InChIInChI=1S/C11H15NO4S/c1-8-5-3-4-6-10(8)9(2)12-17(15,16)7-11(13)14/h3-6,9,12H,7H2,1-2H3,(H,13,14)
InChIKeyFQOSGIQHVPCOQQ-UHFFFAOYSA-N
XLogP1.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
2-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]acetic acid
CID 81406791
2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
CID 81371672
3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81354448
3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 43361900
methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate
CID 54952516
2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid
CID 43442483
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81354446
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 81375054
3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169549
3-[1-(2-propan-2-yloxyphenyl)ethylsulfamoyl]propanoic acid
CID 43716797

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid?
The IUPAC name of 2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid (CID 43361953) is 2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid?
The canonical SMILES for 2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid is Cc1ccccc1C(C)NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid?
The InChIKey is FQOSGIQHVPCOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-8-5-3-4-6-10(8)9(2)12-17(15,16)7-11(13)14/h3-6,9,12H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid?
2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid is sourced from PubChem (CID 43361953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).