4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid

C15H18N2O5S — CID 146121429

IUPAC4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCC(NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccc(OC)cc1
InChIInChI=1S/C15H18N2O5S/c1-3-13(10-4-6-11(22-2)7-5-10)17-23(20,21)12-8-14(15(18)19)16-9-12/h4-9,13,16-17H,3H2,1-2H3,(H,18,19)
InChIKeyAABVKEGBTSTGJB-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.15
Rot. Bonds7

About 4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 146121429) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID146121429
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCC(NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccc(OC)cc1
InChIInChI=1S/C15H18N2O5S/c1-3-13(10-4-6-11(22-2)7-5-10)17-23(20,21)12-8-14(15(18)19)16-9-12/h4-9,13,16-17H,3H2,1-2H3,(H,18,19)
InChIKeyAABVKEGBTSTGJB-UHFFFAOYSA-N
XLogP2.15
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
CID 61248597
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide
CID 112823035
4-(3-ethylpentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 63843659
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate
CID 133161339
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 167839344
4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide
CID 51218079
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 60652296
4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61482761
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 146121429) is 4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid is CCC(NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccc(OC)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is AABVKEGBTSTGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-3-13(10-4-6-11(22-2)7-5-10)17-23(20,21)12-8-14(15(18)19)16-9-12/h4-9,13,16-17H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 338.39 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 146121429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).