4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid

C12H16N2O4S — CID 61482761

IUPAC4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC(C2CC2)C2CC2)c[nH]1
InChIInChI=1S/C12H16N2O4S/c15-12(16)10-5-9(6-13-10)19(17,18)14-11(7-1-2-7)8-3-4-8/h5-8,11,13-14H,1-4H2,(H,15,16)
InChIKeyYRWQDXSTZLXQRL-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.18
Rot. Bonds6

About 4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid

4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 61482761) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID61482761
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC(C2CC2)C2CC2)c[nH]1
InChIInChI=1S/C12H16N2O4S/c15-12(16)10-5-9(6-13-10)19(17,18)14-11(7-1-2-7)8-3-4-8/h5-8,11,13-14H,1-4H2,(H,15,16)
InChIKeyYRWQDXSTZLXQRL-UHFFFAOYSA-N
XLogP1.18
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780827
4-(3-ethylpentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 63843659
4-(dicyclopropylmethylsulfamoyl)benzoic acid
CID 60715455
4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 80583992
4-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81039629
4-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61057312
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61167038
4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65034109
4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43535672
4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 107847878
4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 146121429
4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 80715171

Frequently Asked Questions

What is the IUPAC name of 4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid (CID 61482761) is 4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NC(C2CC2)C2CC2)c[nH]1.
What is the InChIKey of 4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is YRWQDXSTZLXQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-12(16)10-5-9(6-13-10)19(17,18)14-11(7-1-2-7)8-3-4-8/h5-8,11,13-14H,1-4H2,(H,15,16).
What are the key properties of 4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 61482761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).