4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid

C10H16N2O4S — CID 16780827

IUPAC4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESCCCC(C)NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C10H16N2O4S/c1-3-4-7(2)12-17(15,16)8-5-9(10(13)14)11-6-8/h5-7,11-12H,3-4H2,1-2H3,(H,13,14)
InChIKeyQXLTYOMRZSYKDI-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.18
Rot. Bonds6

About 4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid

4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 16780827) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID16780827
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESCCCC(C)NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C10H16N2O4S/c1-3-4-7(2)12-17(15,16)8-5-9(10(13)14)11-6-8/h5-7,11-12H,3-4H2,1-2H3,(H,13,14)
InChIKeyQXLTYOMRZSYKDI-UHFFFAOYSA-N
XLogP1.18
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethylpentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 63843659
5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide
CID 106046504
4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61482761
4-(pentan-2-ylsulfamoyl)benzoic acid
CID 18073108
4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65034109
4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43535672
4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 146121429
4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43701897
4-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81352467
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81400706
2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 43141079
2-(butan-2-ylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652397

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid (CID 16780827) is 4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid is CCCC(C)NS(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is QXLTYOMRZSYKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-3-4-7(2)12-17(15,16)8-5-9(10(13)14)11-6-8/h5-7,11-12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 260.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 16780827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).