4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C12H20N2O4S — CID 79477252

IUPAC4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCC(C)CN(CC)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C12H20N2O4S/c1-4-9(3)8-14(5-2)19(17,18)10-6-11(12(15)16)13-7-10/h6-7,9,13H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyWBZUYHRAOOHGHD-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.77
Rot. Bonds7

About 4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 79477252) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID79477252
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCC(C)CN(CC)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C12H20N2O4S/c1-4-9(3)8-14(5-2)19(17,18)10-6-11(12(15)16)13-7-10/h6-7,9,13H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyWBZUYHRAOOHGHD-UHFFFAOYSA-N
XLogP1.77
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 54997976
4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79490948
4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60952307
4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780472
4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 115283401
1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 79482168
4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60951972
4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 107478999
4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 167885299
4-[bis(2-cyanoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43311208
5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid
CID 79477660
4-(3-ethylpentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 63843659

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 79477252) is 4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is CCC(C)CN(CC)S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is WBZUYHRAOOHGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-4-9(3)8-14(5-2)19(17,18)10-6-11(12(15)16)13-7-10/h6-7,9,13H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 79477252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).