4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid

C14H24N2O4S — CID 64571046

IUPAC4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NCC(C)C(C)C)cc1C(=O)O
InChIInChI=1S/C14H24N2O4S/c1-5-6-16-9-12(7-13(16)14(17)18)21(19,20)15-8-11(4)10(2)3/h7,9-11,15H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyPDMJJLHJJNHHME-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.17
Rot. Bonds8

About 4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid

4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid (PubChem CID 64571046) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
PubChem CID64571046
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NCC(C)C(C)C)cc1C(=O)O
InChIInChI=1S/C14H24N2O4S/c1-5-6-16-9-12(7-13(16)14(17)18)21(19,20)15-8-11(4)10(2)3/h7,9-11,15H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyPDMJJLHJJNHHME-UHFFFAOYSA-N
XLogP2.17
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 62693061
4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 66169532
4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644286
4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 61464739
4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 82925470
4-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 115358273
4-[3-(ethylamino)propylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 61403782
4-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 66185336
4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 43644546
4-(hex-1-yn-3-ylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 106224200
1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 66091074
4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644518

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid (CID 64571046) is 4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid is CCCn1cc(S(=O)(=O)NCC(C)C(C)C)cc1C(=O)O.
What is the InChIKey of 4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
The InChIKey is PDMJJLHJJNHHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-5-6-16-9-12(7-13(16)14(17)18)21(19,20)15-8-11(4)10(2)3/h7,9-11,15H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of 4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid has a molecular weight of 316.42 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid is sourced from PubChem (CID 64571046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).