5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid

C13H20BrNO5S — CID 62831095

IUPAC5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCCCCCN(C(C)C)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C13H20BrNO5S/c1-4-5-6-7-15(9(2)3)21(18,19)11-8-10(13(16)17)20-12(11)14/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeySNCMQMKIZSRXNQ-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.33
Rot. Bonds8

About 5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62831095) has the molecular formula C13H20BrNO5S and a molecular weight of 382.28 g/mol. Its IUPAC name is 5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62831095
Molecular FormulaC13H20BrNO5S
Molecular Weight382.28 g/mol
Exact Mass381.02
IUPAC Name5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCCCCCN(C(C)C)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C13H20BrNO5S/c1-4-5-6-7-15(9(2)3)21(18,19)11-8-10(13(16)17)20-12(11)14/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeySNCMQMKIZSRXNQ-UHFFFAOYSA-N
XLogP3.33
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-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

5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid
CID 62803983
5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid
CID 62805600
5-bromo-4-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62830573
5-bromo-4-(3-ethylpentan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 63843662
5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid
CID 107479013
5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 104656520
5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62803816
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43269299
4-amino-2-cyano-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112424
5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid
CID 62830397
5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112413

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid (CID 62831095) is 5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid is CCCCCN(C(C)C)S(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is SNCMQMKIZSRXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO5S/c1-4-5-6-7-15(9(2)3)21(18,19)11-8-10(13(16)17)20-12(11)14/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 382.28 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62831095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).