3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide

C15H13Cl2F3N4OS — CID 144898818

IUPAC3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide
SMILESCn1cc(SNC2(C(F)(F)F)CC2)c(Cl)c1C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C15H13Cl2F3N4OS/c1-24-7-9(26-23-14(3-4-14)15(18,19)20)11(17)12(24)13(25)22-8-2-5-21-10(16)6-8/h2,5-7,23H,3-4H2,1H3,(H,21,22,25)
InChIKeySEWIOGZSYOKANY-UHFFFAOYSA-N
MW425.26 g/mol
LogP4.67
Rot. Bonds5

About 3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide

3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide (PubChem CID 144898818) has the molecular formula C15H13Cl2F3N4OS and a molecular weight of 425.26 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide
PubChem CID144898818
Molecular FormulaC15H13Cl2F3N4OS
Molecular Weight425.26 g/mol
Exact Mass424.01
IUPAC Name3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide
SMILESCn1cc(SNC2(C(F)(F)F)CC2)c(Cl)c1C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C15H13Cl2F3N4OS/c1-24-7-9(26-23-14(3-4-14)15(18,19)20)11(17)12(24)13(25)22-8-2-5-21-10(16)6-8/h2,5-7,23H,3-4H2,1H3,(H,21,22,25)
InChIKeySEWIOGZSYOKANY-UHFFFAOYSA-N
XLogP4.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.26
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide
CID 118302169
3-chloro-N-(2-chloro-4-pyridinyl)-4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 118302349
N-(2-chloro-4-pyridinyl)-1-methyl-3-(methylidene-λ3-iodanyl)-4-[oxo-[[1-(trifluoromethyl)cyclobutyl]amino]silyl]pyrrole-2-carboxamide
CID 163487634
3-fluoro-N-(2-fluoro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclobutyl]sulfamoyl]pyrrole-2-carboxamide
CID 118302186
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
4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide
CID 135359271
3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123670491
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
3-chloro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoylamino]-N-(3,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 162608482
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-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide (CID 144898818) is 3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide is Cn1cc(SNC2(C(F)(F)F)CC2)c(Cl)c1C(=O)Nc1ccnc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide?
The InChIKey is SEWIOGZSYOKANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F3N4OS/c1-24-7-9(26-23-14(3-4-14)15(18,19)20)11(17)12(24)13(25)22-8-2-5-21-10(16)6-8/h2,5-7,23H,3-4H2,1H3,(H,21,22,25).
What are the key properties of 3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide?
3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide has a molecular weight of 425.26 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide is sourced from PubChem (CID 144898818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).