2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid

C11H16N2O6S2 — CID 43361881

IUPAC2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C11H16N2O6S2/c1-8-4-5-9(21(18,19)13(2)3)6-10(8)12-20(16,17)7-11(14)15/h4-6,12H,7H2,1-3H3,(H,14,15)
InChIKeyRBFYKXKELSAWTJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.07
Rot. Bonds6

About 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid

2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid (PubChem CID 43361881) has the molecular formula C11H16N2O6S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid
PubChem CID43361881
Molecular FormulaC11H16N2O6S2
Molecular Weight336.39 g/mol
Exact Mass336.04
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C11H16N2O6S2/c1-8-4-5-9(21(18,19)13(2)3)6-10(8)12-20(16,17)7-11(14)15/h4-6,12H,7H2,1-3H3,(H,14,15)
InChIKeyRBFYKXKELSAWTJ-UHFFFAOYSA-N
XLogP0.07
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(carboxymethylsulfonylamino)-4-methylbenzoic acid
CID 43715539
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide
CID 63678439
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 100784760
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889
3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide
CID 26979142
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
CID 26774002
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid (CID 43361881) is 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid is Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid?
The InChIKey is RBFYKXKELSAWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S2/c1-8-4-5-9(21(18,19)13(2)3)6-10(8)12-20(16,17)7-11(14)15/h4-6,12H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid?
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid has a molecular weight of 336.39 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43361881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).