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

C14H22N2O4S — CID 81435280

IUPAC4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C14H22N2O4S/c1-8-11(13(17)18)15-9(2)12(8)21(19,20)16-10-6-5-7-14(10,3)4/h10,15-16H,5-7H2,1-4H3,(H,17,18)
InChIKeyPMQCLDOFACUIPJ-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.19
Rot. Bonds4

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

4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (PubChem CID 81435280) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
PubChem CID81435280
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C14H22N2O4S/c1-8-11(13(17)18)15-9(2)12(8)21(19,20)16-10-6-5-7-14(10,3)4/h10,15-16H,5-7H2,1-4H3,(H,17,18)
InChIKeyPMQCLDOFACUIPJ-UHFFFAOYSA-N
XLogP2.19
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81423053
N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327301
4-[(2,2-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79861610
2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide
CID 103171642
4-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 114755952
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 115559204
2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid
CID 79870885
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
N-(2,2-dimethylcyclohexyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106071371
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
CID 79860965
N-(2,2-dimethylcyclopentyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070986

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CID 81435280) is 4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is Cc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)NC1CCCC1(C)C.
What is the InChIKey of 4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is PMQCLDOFACUIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-8-11(13(17)18)15-9(2)12(8)21(19,20)16-10-6-5-7-14(10,3)4/h10,15-16H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 314.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopentyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 81435280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).