4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C11H16N2O4S — CID 43270298

IUPAC4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCCN(C1CC1)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H16N2O4S/c1-2-5-13(8-3-4-8)18(16,17)9-6-10(11(14)15)12-7-9/h6-8,12H,2-5H2,1H3,(H,14,15)
InChIKeyZCZPYUKJMQKXBE-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.28
Rot. Bonds6

About 4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 43270298) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID43270298
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCCN(C1CC1)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H16N2O4S/c1-2-5-13(8-3-4-8)18(16,17)9-6-10(11(14)15)12-7-9/h6-8,12H,2-5H2,1H3,(H,14,15)
InChIKeyZCZPYUKJMQKXBE-UHFFFAOYSA-N
XLogP1.28
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-methoxyethyl(thiolan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60952001
4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43613838
4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780472
5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907804
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylic acid
CID 63168236
4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62546053
4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61042051
3-[cyclopropyl(propyl)sulfamoyl]-4-methylbenzoic acid
CID 43270265
(E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 43270285
5-(hydrazinecarbonyl)-N,N-dipropyl-1H-pyrrole-3-sulfonamide
CID 16780236
4-[bis(2-cyanoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43311208
5-chloro-3-[cyclopropyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 82875154

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 43270298) is 4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is CCCN(C1CC1)S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is ZCZPYUKJMQKXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-5-13(8-3-4-8)18(16,17)9-6-10(11(14)15)12-7-9/h6-8,12H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43270298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).