3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide

C16H15ClF4N4O3S — CID 166687337

IUPAC3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide
SMILESC=C(NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(C(F)F)c2)c1Cl)C(C)(F)F
InChIInChI=1S/C16H15ClF4N4O3S/c1-8(16(2,20)21)24-29(27,28)11-7-25(3)13(12(11)17)15(26)23-9-4-5-22-10(6-9)14(18)19/h4-7,14,24H,1H2,2-3H3,(H,22,23,26)
InChIKeyAGXJNUVECWKYAD-UHFFFAOYSA-N
MW454.83 g/mol
LogP3.71
Rot. Bonds7

About 3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide

3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide (PubChem CID 166687337) has the molecular formula C16H15ClF4N4O3S and a molecular weight of 454.83 g/mol. Its IUPAC name is 3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide
PubChem CID166687337
Molecular FormulaC16H15ClF4N4O3S
Molecular Weight454.83 g/mol
Exact Mass454.05
IUPAC Name3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide
SMILESC=C(NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(C(F)F)c2)c1Cl)C(C)(F)F
InChIInChI=1S/C16H15ClF4N4O3S/c1-8(16(2,20)21)24-29(27,28)11-7-25(3)13(12(11)17)15(26)23-9-4-5-22-10(6-9)14(18)19/h4-7,14,24H,1H2,2-3H3,(H,22,23,26)
InChIKeyAGXJNUVECWKYAD-UHFFFAOYSA-N
XLogP3.71
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.83
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-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-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123670491
N-[2-(difluoromethyl)-4-pyridinyl]-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclobutyl]methylsulfonyl]pyrrole-2-carboxamide
CID 160503586
3-chloro-N-(3,4-difluorophenyl)-1-methyl-4-[(1,1,1-trifluoropropan-2-ylamino)sulfamoyl]pyrrole-2-carboxamide
CID 162609065
3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
CID 118295593
3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 118302142
N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide
CID 118302169
4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide
CID 135359271
3-chloro-4-[(3,3-difluoro-1-methylcyclobutyl)methylsulfonyl]-N-(2-fluoro-4-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 162088853

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide (CID 166687337) is 3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide is C=C(NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(C(F)F)c2)c1Cl)C(C)(F)F.
What is the InChIKey of 3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is AGXJNUVECWKYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF4N4O3S/c1-8(16(2,20)21)24-29(27,28)11-7-25(3)13(12(11)17)15(26)23-9-4-5-22-10(6-9)14(18)19/h4-7,14,24H,1H2,2-3H3,(H,22,23,26).
What are the key properties of 3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide?
3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 454.83 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 166687337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).