4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid

C13H13BrN2O4S — CID 43701897

IUPAC4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O4S/c1-8(9-3-2-4-10(14)5-9)16-21(19,20)11-6-12(13(17)18)15-7-11/h2-8,15-16H,1H3,(H,17,18)
InChIKeyKAGOBTRJHCAACM-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.51
Rot. Bonds5

About 4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 43701897) has the molecular formula C13H13BrN2O4S and a molecular weight of 373.23 g/mol. Its IUPAC name is 4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID43701897
Molecular FormulaC13H13BrN2O4S
Molecular Weight373.23 g/mol
Exact Mass371.98
IUPAC Name4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O4S/c1-8(9-3-2-4-10(14)5-9)16-21(19,20)11-6-12(13(17)18)15-7-11/h2-8,15-16H,1H3,(H,17,18)
InChIKeyKAGOBTRJHCAACM-UHFFFAOYSA-N
XLogP2.51
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81352467
4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43535672
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81400706
5-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
CID 81370759
2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
CID 81371672
4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780827
4-(3-ethylpentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 63843659
N-[(1R)-1-(3-bromophenyl)ethyl]-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556841
N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 43873824
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635
3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid
CID 81371671
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 28560356

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 43701897) is 4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid is CC(NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1cccc(Br)c1.
What is the InChIKey of 4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is KAGOBTRJHCAACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S/c1-8(9-3-2-4-10(14)5-9)16-21(19,20)11-6-12(13(17)18)15-7-11/h2-8,15-16H,1H3,(H,17,18).
What are the key properties of 4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 373.23 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43701897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).