4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C13H20N2O4S — CID 43613838

IUPAC4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCN(C1CCCCCC1)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C13H20N2O4S/c1-15(10-6-4-2-3-5-7-10)20(18,19)11-8-12(13(16)17)14-9-11/h8-10,14H,2-7H2,1H3,(H,16,17)
InChIKeyWRUVSMFVCBKTMI-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.06
Rot. Bonds4

About 4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 43613838) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID43613838
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCN(C1CCCCCC1)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C13H20N2O4S/c1-15(10-6-4-2-3-5-7-10)20(18,19)11-8-12(13(16)17)14-9-11/h8-10,14H,2-7H2,1H3,(H,16,17)
InChIKeyWRUVSMFVCBKTMI-UHFFFAOYSA-N
XLogP2.06
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 43613838) is 4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is CN(C1CCCCCC1)S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is WRUVSMFVCBKTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-15(10-6-4-2-3-5-7-10)20(18,19)11-8-12(13(16)17)14-9-11/h8-10,14H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43613838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).