2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid

C14H20N2O4S — CID 64815678

IUPAC2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid
SMILESCCNS(=O)(=O)c1ccccc1NC1CCCC1C(=O)O
InChIInChI=1S/C14H20N2O4S/c1-2-15-21(19,20)13-9-4-3-7-12(13)16-11-8-5-6-10(11)14(17)18/h3-4,7,9-11,15-16H,2,5-6,8H2,1H3,(H,17,18)
InChIKeyMUVGVRUDPTXHCT-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.65
Rot. Bonds6

About 2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid

2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid (PubChem CID 64815678) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid
PubChem CID64815678
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid
SMILESCCNS(=O)(=O)c1ccccc1NC1CCCC1C(=O)O
InChIInChI=1S/C14H20N2O4S/c1-2-15-21(19,20)13-9-4-3-7-12(13)16-11-8-5-6-10(11)14(17)18/h3-4,7,9-11,15-16H,2,5-6,8H2,1H3,(H,17,18)
InChIKeyMUVGVRUDPTXHCT-UHFFFAOYSA-N
XLogP1.65
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid (CID 64815678) is 2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid is CCNS(=O)(=O)c1ccccc1NC1CCCC1C(=O)O.
What is the InChIKey of 2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid?
The InChIKey is MUVGVRUDPTXHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-15-21(19,20)13-9-4-3-7-12(13)16-11-8-5-6-10(11)14(17)18/h3-4,7,9-11,15-16H,2,5-6,8H2,1H3,(H,17,18).
What are the key properties of 2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid?
2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).