2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid

C15H21NO4S — CID 43361662

IUPAC2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid
SMILESCCCc1ccc(S(=O)(=O)NC(C)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C15H21NO4S/c1-3-4-11-5-9-13(10-6-11)21(19,20)16-15(2,14(17)18)12-7-8-12/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyPBGOFOCJRBXFLN-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.17
Rot. Bonds7

About 2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid

2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid (PubChem CID 43361662) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid
PubChem CID43361662
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid
SMILESCCCc1ccc(S(=O)(=O)NC(C)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C15H21NO4S/c1-3-4-11-5-9-13(10-6-11)21(19,20)16-15(2,14(17)18)12-7-8-12/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyPBGOFOCJRBXFLN-UHFFFAOYSA-N
XLogP2.17
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 43172952
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid
CID 43361649
N-(2-cyanopropan-2-yl)-4-propylbenzenesulfonamide
CID 61126681
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992
2-cyclopropyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanoic acid
CID 43361659
N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347
2-cyclopropyl-2-[(2,4-difluorophenyl)sulfonylamino]propanoic acid
CID 43341778
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
CID 43361631
2-[[4-(cyanomethyl)phenyl]sulfonylamino]-2-methylpentanoic acid
CID 79186574

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid (CID 43361662) is 2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid is CCCc1ccc(S(=O)(=O)NC(C)(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid?
The InChIKey is PBGOFOCJRBXFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-3-4-11-5-9-13(10-6-11)21(19,20)16-15(2,14(17)18)12-7-8-12/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid?
2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid has a molecular weight of 311.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43361662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).