4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C14H24N2O4S — CID 79490948

IUPAC4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C14H24N2O4S/c1-5-11(6-2)16(9-10(3)4)21(19,20)12-7-13(14(17)18)15-8-12/h7-8,10-11,15H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyQRYHDTKYCZSQCC-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.55
Rot. Bonds8

About 4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 79490948) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID79490948
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C14H24N2O4S/c1-5-11(6-2)16(9-10(3)4)21(19,20)12-7-13(14(17)18)15-8-12/h7-8,10-11,15H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyQRYHDTKYCZSQCC-UHFFFAOYSA-N
XLogP2.55
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79477252
4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60952307
4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780472
3-amino-4-hydroxy-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79490220
4-(3-ethylpentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 63843659
3-[2-methylpropyl(pentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 79490962
4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780827
4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 107478999
4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 54997976
4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43270298
4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61042051
4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 114277066

Frequently Asked Questions

What is the IUPAC name of 4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 79490948) is 4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is CCC(CC)N(CC(C)C)S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is QRYHDTKYCZSQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-5-11(6-2)16(9-10(3)4)21(19,20)12-7-13(14(17)18)15-8-12/h7-8,10-11,15H,5-6,9H2,1-4H3,(H,17,18).
What are the key properties of 4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 316.42 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methylpropyl(pentan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 79490948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).