methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate

C9H14N2O4S — CID 6625900

IUPACmethyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate
SMILESCCCNS(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C9H14N2O4S/c1-3-4-11-16(13,14)7-5-8(10-6-7)9(12)15-2/h5-6,10-11H,3-4H2,1-2H3
InChIKeyLPFGHBJXAYPFNE-UHFFFAOYSA-N
MW246.29 g/mol
LogP0.49
Rot. Bonds5

About methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate

methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate (PubChem CID 6625900) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate
PubChem CID6625900
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Namemethyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate
SMILESCCCNS(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C9H14N2O4S/c1-3-4-11-16(13,14)7-5-8(10-6-7)9(12)15-2/h5-6,10-11H,3-4H2,1-2H3
InChIKeyLPFGHBJXAYPFNE-UHFFFAOYSA-N
XLogP0.49
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
CID 22551871
methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate
CID 20938587
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
4-(2-methylsulfanylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43525958
N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35288257
(2S)-2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]amino]propanoic acid
CID 119942974
2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid
CID 119346707
methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 20914906
methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 22552084
ethyl 4-ethylsulfonyl-1H-pyrrole-2-carboxylate
CID 99990576
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780760
N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375918

Frequently Asked Questions

What is the IUPAC name of methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate (CID 6625900) is methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate is CCCNS(=O)(=O)c1c[nH]c(C(=O)OC)c1.
What is the InChIKey of methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate?
The InChIKey is LPFGHBJXAYPFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-3-4-11-16(13,14)7-5-8(10-6-7)9(12)15-2/h5-6,10-11H,3-4H2,1-2H3.
What are the key properties of methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate?
methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate has a molecular weight of 246.29 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 6625900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).