4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide

C15H18ClFN4O3S — CID 135359271

IUPAC4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide
SMILESCCC(C)NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(Cl)c2)c1F
InChIInChI=1S/C15H18ClFN4O3S/c1-4-9(2)20-25(23,24)11-8-21(3)14(13(11)17)15(22)19-10-5-6-18-12(16)7-10/h5-9,20H,4H2,1-3H3,(H,18,19,22)
InChIKeyDFWONHYMAVMFGM-UHFFFAOYSA-N
MW388.85 g/mol
LogP2.54
Rot. Bonds6

About 4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide

4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide (PubChem CID 135359271) has the molecular formula C15H18ClFN4O3S and a molecular weight of 388.85 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide
PubChem CID135359271
Molecular FormulaC15H18ClFN4O3S
Molecular Weight388.85 g/mol
Exact Mass388.08
IUPAC Name4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide
SMILESCCC(C)NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(Cl)c2)c1F
InChIInChI=1S/C15H18ClFN4O3S/c1-4-9(2)20-25(23,24)11-8-21(3)14(13(11)17)15(22)19-10-5-6-18-12(16)7-10/h5-9,20H,4H2,1-3H3,(H,18,19,22)
InChIKeyDFWONHYMAVMFGM-UHFFFAOYSA-N
XLogP2.54
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2-chloro-4-pyridinyl)-4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 118302349
3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
CID 118295593
N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide
CID 118302169
3-chloro-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123270381
3-chloro-4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-1-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
CID 118295581
N-(2-bromo-4-pyridinyl)-3-chloro-4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 118302048
3-chloro-4-[(3,3-difluoro-1-methylcyclobutyl)methylsulfonyl]-N-(2-fluoro-4-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 162088853
3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123670491
2-[[5-[(3,4-difluorophenyl)carbamoyl]-4-fluoro-1-methylpyrrol-3-yl]sulfonylamino]-3-methoxybutanoic acid
CID 139462792
N-(2-chloro-4-pyridinyl)-1-methyl-4-[(2S)-2-(trifluoromethyl)butyl]sulfonylpyrrole-2-carboxamide;sulfane
CID 159827438
4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide
CID 144898807
methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate
CID 121294803

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide (CID 135359271) is 4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide is CCC(C)NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(Cl)c2)c1F.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide?
The InChIKey is DFWONHYMAVMFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O3S/c1-4-9(2)20-25(23,24)11-8-21(3)14(13(11)17)15(22)19-10-5-6-18-12(16)7-10/h5-9,20H,4H2,1-3H3,(H,18,19,22).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide?
4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 135359271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).