4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid

C13H22N2O5S — CID 43644688

IUPAC4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)N(CCO)C(C)C)cc1C(=O)O
InChIInChI=1S/C13H22N2O5S/c1-4-5-14-9-11(8-12(14)13(17)18)21(19,20)15(6-7-16)10(2)3/h8-10,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyRZBDPPMVLSIFHH-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.99
Rot. Bonds8

About 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid

4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid (PubChem CID 43644688) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
PubChem CID43644688
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)N(CCO)C(C)C)cc1C(=O)O
InChIInChI=1S/C13H22N2O5S/c1-4-5-14-9-11(8-12(14)13(17)18)21(19,20)15(6-7-16)10(2)3/h8-10,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyRZBDPPMVLSIFHH-UHFFFAOYSA-N
XLogP0.99
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 104551545
4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644518
4-[1-cyanopropan-2-yl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 63223189
4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 64571046
4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 62693061
4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 60952035
4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 66169532
4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 82925470
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-[butan-2-yl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644524
4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 54876261

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid (CID 43644688) is 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid is CCCn1cc(S(=O)(=O)N(CCO)C(C)C)cc1C(=O)O.
What is the InChIKey of 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The InChIKey is RZBDPPMVLSIFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-4-5-14-9-11(8-12(14)13(17)18)21(19,20)15(6-7-16)10(2)3/h8-10,16H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).