2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide

C15H19ClN4O6S2 — CID 20921896

IUPAC2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCNS(=O)(=O)c1cn(CC(=O)Nc2cc(Cl)ccc2OC)cc1S(=O)(=O)NC
InChIInChI=1S/C15H19ClN4O6S2/c1-17-27(22,23)13-7-20(8-14(13)28(24,25)18-2)9-15(21)19-11-6-10(16)4-5-12(11)26-3/h4-8,17-18H,9H2,1-3H3,(H,19,21)
InChIKeyXFURGVHPFLWJIW-UHFFFAOYSA-N
MW450.93 g/mol
LogP0.61
Rot. Bonds8

About 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 20921896) has the molecular formula C15H19ClN4O6S2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID20921896
Molecular FormulaC15H19ClN4O6S2
Molecular Weight450.93 g/mol
Exact Mass450.04
IUPAC Name2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCNS(=O)(=O)c1cn(CC(=O)Nc2cc(Cl)ccc2OC)cc1S(=O)(=O)NC
InChIInChI=1S/C15H19ClN4O6S2/c1-17-27(22,23)13-7-20(8-14(13)28(24,25)18-2)9-15(21)19-11-6-10(16)4-5-12(11)26-3/h4-8,17-18H,9H2,1-3H3,(H,19,21)
InChIKeyXFURGVHPFLWJIW-UHFFFAOYSA-N
XLogP0.61
TPSA135.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide 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

2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091
N-(5-chloro-2-methoxyphenyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853159
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 29162746
N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175
N-(5-chloro-2-methoxyphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16548528
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26582388
4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37192606
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 55312769
N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 60585239

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 20921896) is 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide is CNS(=O)(=O)c1cn(CC(=O)Nc2cc(Cl)ccc2OC)cc1S(=O)(=O)NC.
What is the InChIKey of 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is XFURGVHPFLWJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O6S2/c1-17-27(22,23)13-7-20(8-14(13)28(24,25)18-2)9-15(21)19-11-6-10(16)4-5-12(11)26-3/h4-8,17-18H,9H2,1-3H3,(H,19,21).
What are the key properties of 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 450.93 g/mol, XLogP of 0.61, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 20921896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).