4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

C11H16N2O5S — CID 81423053

IUPAC4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)NC1CC(O)C1
InChIInChI=1S/C11H16N2O5S/c1-5-9(11(15)16)12-6(2)10(5)19(17,18)13-7-3-8(14)4-7/h7-8,12-14H,3-4H2,1-2H3,(H,15,16)
InChIKeyWEGUUBCNVVRDIZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.13
Rot. Bonds4

About 4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (PubChem CID 81423053) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
PubChem CID81423053
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Name4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)NC1CC(O)C1
InChIInChI=1S/C11H16N2O5S/c1-5-9(11(15)16)12-6(2)10(5)19(17,18)13-7-3-8(14)4-7/h7-8,12-14H,3-4H2,1-2H3,(H,15,16)
InChIKeyWEGUUBCNVVRDIZ-UHFFFAOYSA-N
XLogP0.13
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3,5-dimethyl-4-[(2-oxoazepan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 2738687
ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2776544
3-fluoro-5-methyl-4-[[1-(trifluoromethyl)cyclobutyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 117697253
4-(tert-butylsulfamoyl)-3-fluoro-5-methyl-1H-pyrrole-2-carboxylic acid
CID 117697481
3-fluoro-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 117697650
3-fluoro-5-methyl-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 117697712
ethyl 3-fluoro-5-methyl-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 117697761
ethyl 4-[(2,2-difluorocyclobutyl)sulfamoyl]-3-fluoro-5-methyl-1H-pyrrole-2-carboxylate
CID 118295496
3,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81423291
3,5-dimethyl-4-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81423394
3,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81423727
ethyl 3,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 81428822

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CID 81423053) is 4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is Cc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)NC1CC(O)C1.
What is the InChIKey of 4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is WEGUUBCNVVRDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-5-9(11(15)16)12-6(2)10(5)19(17,18)13-7-3-8(14)4-7/h7-8,12-14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 81423053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).