3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide

C15H13ClF3N5O3S — CID 123670491

IUPAC3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
SMILESCC(NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(C#N)c2)c1Cl)C(F)(F)F
InChIInChI=1S/C15H13ClF3N5O3S/c1-8(15(17,18)19)23-28(26,27)11-7-24(2)13(12(11)16)14(25)22-9-3-4-21-10(5-9)6-20/h3-5,7-8,23H,1-2H3,(H,21,22,25)
InChIKeyRPVUVKDNSWSMOG-UHFFFAOYSA-N
MW435.82 g/mol
LogP2.43
Rot. Bonds5

About 3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide

3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 123670491) has the molecular formula C15H13ClF3N5O3S and a molecular weight of 435.82 g/mol. Its IUPAC name is 3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
PubChem CID123670491
Molecular FormulaC15H13ClF3N5O3S
Molecular Weight435.82 g/mol
Exact Mass435.04
IUPAC Name3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
SMILESCC(NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(C#N)c2)c1Cl)C(F)(F)F
InChIInChI=1S/C15H13ClF3N5O3S/c1-8(15(17,18)19)23-28(26,27)11-7-24(2)13(12(11)16)14(25)22-9-3-4-21-10(5-9)6-20/h3-5,7-8,23H,1-2H3,(H,21,22,25)
InChIKeyRPVUVKDNSWSMOG-UHFFFAOYSA-N
XLogP2.43
TPSA116.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.82
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-N-(2-chloro-4-pyridinyl)-4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 118302349
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-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 118302142
3-chloro-N-(3-cyano-4-fluorophenyl)-1-propan-2-yl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294898
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-(3,4-difluorophenyl)-1-methyl-4-[(1,1,1-trifluoropropan-2-ylamino)sulfamoyl]pyrrole-2-carboxamide
CID 162609065
methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 118295499
3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
CID 118295593
3-chloro-4-(3,3-difluorobut-1-en-2-ylsulfamoyl)-N-[2-(difluoromethyl)-4-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 166687337
N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123178865

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide (CID 123670491) is 3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide is CC(NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(C#N)c2)c1Cl)C(F)(F)F.
What is the InChIKey of 3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is RPVUVKDNSWSMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N5O3S/c1-8(15(17,18)19)23-28(26,27)11-7-24(2)13(12(11)16)14(25)22-9-3-4-21-10(5-9)6-20/h3-5,7-8,23H,1-2H3,(H,21,22,25).
What are the key properties of 3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide?
3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 435.82 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 123670491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).