4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C12H14N2O4S2 — CID 60951972

IUPAC4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCN(Cc1cccs1)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C12H14N2O4S2/c1-2-14(8-9-4-3-5-19-9)20(17,18)10-6-11(12(15)16)13-7-10/h3-7,13H,2,8H2,1H3,(H,15,16)
InChIKeyKNUDFDLRDVEDFG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.99
Rot. Bonds6

About 4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 60951972) has the molecular formula C12H14N2O4S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID60951972
Molecular FormulaC12H14N2O4S2
Molecular Weight314.39 g/mol
Exact Mass314.04
IUPAC Name4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCN(Cc1cccs1)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C12H14N2O4S2/c1-2-14(8-9-4-3-5-19-9)20(17,18)10-6-11(12(15)16)13-7-10/h3-7,13H,2,8H2,1H3,(H,15,16)
InChIKeyKNUDFDLRDVEDFG-UHFFFAOYSA-N
XLogP1.99
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 167885299
5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid
CID 62830397
N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79477252
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60656239
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45298794
2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55870758

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 60951972) is 4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is CCN(Cc1cccs1)S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is KNUDFDLRDVEDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S2/c1-2-14(8-9-4-3-5-19-9)20(17,18)10-6-11(12(15)16)13-7-10/h3-7,13H,2,8H2,1H3,(H,15,16).
What are the key properties of 4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 60951972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).