1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid

C18H21N3O5S — CID 166192888

IUPAC1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C(=O)O
InChIInChI=1S/C18H21N3O5S/c1-2-20-12-13(11-16(20)18(23)24)27(25,26)19-15-8-4-3-7-14(15)17(22)21-9-5-6-10-21/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3,(H,23,24)
InChIKeyNPZUXHWEAAIJPQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.24
Rot. Bonds6

About 1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid

1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 166192888) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid
PubChem CID166192888
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C(=O)O
InChIInChI=1S/C18H21N3O5S/c1-2-20-12-13(11-16(20)18(23)24)27(25,26)19-15-8-4-3-7-14(15)17(22)21-9-5-6-10-21/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3,(H,23,24)
InChIKeyNPZUXHWEAAIJPQ-UHFFFAOYSA-N
XLogP2.24
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28633685
1-ethyl-4-(2-pyrrolidin-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 62641780
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644624
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
CID 100525119
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
1-ethyl-4-[3-(ethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61403829
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 92672793

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid (CID 166192888) is 1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C(=O)O.
What is the InChIKey of 1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is NPZUXHWEAAIJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-2-20-12-13(11-16(20)18(23)24)27(25,26)19-15-8-4-3-7-14(15)17(22)21-9-5-6-10-21/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3,(H,23,24).
What are the key properties of 1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid?
1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 391.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 166192888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).