N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide

C15H13ClF4N4O3S — CID 118302169

IUPACN-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)c(F)c1C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C15H13ClF4N4O3S/c1-24-7-9(28(26,27)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)
InChIKeyQUOANOUVZKIQEB-UHFFFAOYSA-N
MW440.81 g/mol
LogP2.84
Rot. Bonds5

About N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide

N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide (PubChem CID 118302169) has the molecular formula C15H13ClF4N4O3S and a molecular weight of 440.81 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide
PubChem CID118302169
Molecular FormulaC15H13ClF4N4O3S
Molecular Weight440.81 g/mol
Exact Mass440.03
IUPAC NameN-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)c(F)c1C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C15H13ClF4N4O3S/c1-24-7-9(28(26,27)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)
InChIKeyQUOANOUVZKIQEB-UHFFFAOYSA-N
XLogP2.84
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.81
LogP ≤ 52.84
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-fluoro-N-(2-fluoro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclobutyl]sulfamoyl]pyrrole-2-carboxamide
CID 118302186
4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide
CID 135359271
3-chloro-N-(2-chloro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]sulfanylpyrrole-2-carboxamide
CID 144898818
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)-1-methyl-3-(methylidene-λ3-iodanyl)-4-[oxo-[[1-(trifluoromethyl)cyclobutyl]amino]silyl]pyrrole-2-carboxamide
CID 163487634
N-[2-(difluoromethyl)-4-pyridinyl]-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclobutyl]methylsulfonyl]pyrrole-2-carboxamide
CID 160503586
2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide
CID 106211293
3-chloro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoylamino]-N-(3,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 162608482
4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide
CID 144898807
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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide (CID 118302169) is N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide is Cn1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)c(F)c1C(=O)Nc1ccnc(Cl)c1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide?
The InChIKey is QUOANOUVZKIQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF4N4O3S/c1-24-7-9(28(26,27)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 N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide?
N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide has a molecular weight of 440.81 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 118302169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).