2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid

C13H18N2O4S — CID 62696169

IUPAC2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid
SMILESCN(C)S(=O)(=O)c1ccc(NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-15(2)20(18,19)11-7-5-10(6-8-11)14-12(13(16)17)9-3-4-9/h5-9,12,14H,3-4H2,1-2H3,(H,16,17)
InChIKeyQKFLYJJRFPABLL-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.21
Rot. Bonds6

About 2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid

2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid (PubChem CID 62696169) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid
PubChem CID62696169
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid
SMILESCN(C)S(=O)(=O)c1ccc(NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-15(2)20(18,19)11-7-5-10(6-8-11)14-12(13(16)17)9-3-4-9/h5-9,12,14H,3-4H2,1-2H3,(H,16,17)
InChIKeyQKFLYJJRFPABLL-UHFFFAOYSA-N
XLogP1.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 43682546
2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid
CID 62696168
2-(4-chloroanilino)-2-cyclopropylacetic acid
CID 61310557
3-[4-(dimethylsulfamoyl)anilino]butanoic acid
CID 43453879
2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62694827
2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide
CID 106345924
2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid
CID 60661669
2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3947885
N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide
CID 43682540
2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 116675266
2-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119213131
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid (CID 62696169) is 2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid is CN(C)S(=O)(=O)c1ccc(NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid?
The InChIKey is QKFLYJJRFPABLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-15(2)20(18,19)11-7-5-10(6-8-11)14-12(13(16)17)9-3-4-9/h5-9,12,14H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid?
2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid has a molecular weight of 298.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid is sourced from PubChem (CID 62696169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).