N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide

C15H13F7N4O3S — CID 123178865

IUPACN-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
SMILESCC(NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(C(F)F)c2F)c1F)C(F)(F)F
InChIInChI=1S/C15H13F7N4O3S/c1-6(15(20,21)22)25-30(28,29)8-5-26(2)12(10(8)17)14(27)24-7-3-4-23-11(9(7)16)13(18)19/h3-6,13,25H,1-2H3,(H,23,24,27)
InChIKeyCPFOCQXTCHJKPR-UHFFFAOYSA-N
MW462.35 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide

N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 123178865) has the molecular formula C15H13F7N4O3S and a molecular weight of 462.35 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
PubChem CID123178865
Molecular FormulaC15H13F7N4O3S
Molecular Weight462.35 g/mol
Exact Mass462.06
IUPAC NameN-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
SMILESCC(NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(C(F)F)c2F)c1F)C(F)(F)F
InChIInChI=1S/C15H13F7N4O3S/c1-6(15(20,21)22)25-30(28,29)8-5-26(2)12(10(8)17)14(27)24-7-3-4-23-11(9(7)16)13(18)19/h3-6,13,25H,1-2H3,(H,23,24,27)
InChIKeyCPFOCQXTCHJKPR-UHFFFAOYSA-N
XLogP3.12
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
CID 118295593
3-chloro-N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 118302158
3-chloro-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123270381
1-(2,2-difluoroethyl)-N-(2,4-difluorophenyl)-3-fluoro-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 178045884
4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide
CID 118302422
3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123670491
1-(2,2-difluoroethyl)-N-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoro-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 178045885
3-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 142796941
N-(2,3-difluoro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclobutyl]methylsulfonyl]pyrrole-2-carboxamide
CID 147217618
3-chloro-N-(2-chloro-4-pyridinyl)-4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 118302349
4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide
CID 135359271

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide (CID 123178865) is N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide is CC(NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(C(F)F)c2F)c1F)C(F)(F)F.
What is the InChIKey of N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is CPFOCQXTCHJKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F7N4O3S/c1-6(15(20,21)22)25-30(28,29)8-5-26(2)12(10(8)17)14(27)24-7-3-4-23-11(9(7)16)13(18)19/h3-6,13,25H,1-2H3,(H,23,24,27).
What are the key properties of N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide?
N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 462.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 123178865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).