2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid

C12H16N2O4S — CID 43468799

IUPAC2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid
SMILESCC(Nc1ccccc1S(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-8(12(15)16)13-10-4-2-3-5-11(10)19(17,18)14-9-6-7-9/h2-5,8-9,13-14H,6-7H2,1H3,(H,15,16)
InChIKeyVMDNMNSRVDXEOQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.01
Rot. Bonds6

About 2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid

2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid (PubChem CID 43468799) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid
PubChem CID43468799
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid
SMILESCC(Nc1ccccc1S(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-8(12(15)16)13-10-4-2-3-5-11(10)19(17,18)14-9-6-7-9/h2-5,8-9,13-14H,6-7H2,1H3,(H,15,16)
InChIKeyVMDNMNSRVDXEOQ-UHFFFAOYSA-N
XLogP1.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 63925494
2-(2-sulfamoylanilino)propanoic acid
CID 43468805
N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 62840863
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668
2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid
CID 104571930
2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
CID 106127786
2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
CID 43454674

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid?
The IUPAC name of 2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid (CID 43468799) is 2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid.
What is the SMILES notation for 2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid?
The canonical SMILES for 2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid is CC(Nc1ccccc1S(=O)(=O)NC1CC1)C(=O)O.
What is the InChIKey of 2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid?
The InChIKey is VMDNMNSRVDXEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8(12(15)16)13-10-4-2-3-5-11(10)19(17,18)14-9-6-7-9/h2-5,8-9,13-14H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid?
2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid has a molecular weight of 284.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid is sourced from PubChem (CID 43468799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).