N-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide

C11H9BrClFN4O3S — CID 166687331

IUPACN-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)c(Cl)c1C(=O)Nc1ccc(F)c(Br)n1
InChIInChI=1S/C11H9BrClFN4O3S/c1-18-4-6(22(15,20)21)8(13)9(18)11(19)17-7-3-2-5(14)10(12)16-7/h2-4H,1H3,(H2,15,20,21)(H,16,17,19)
InChIKeyLLRBCPDPKRTECQ-UHFFFAOYSA-N
MW411.64 g/mol
LogP1.87
Rot. Bonds3

About N-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide

N-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 166687331) has the molecular formula C11H9BrClFN4O3S and a molecular weight of 411.64 g/mol. Its IUPAC name is N-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID166687331
Molecular FormulaC11H9BrClFN4O3S
Molecular Weight411.64 g/mol
Exact Mass409.93
IUPAC NameN-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)c(Cl)c1C(=O)Nc1ccc(F)c(Br)n1
InChIInChI=1S/C11H9BrClFN4O3S/c1-18-4-6(22(15,20)21)8(13)9(18)11(19)17-7-3-2-5(14)10(12)16-7/h2-4H,1H3,(H2,15,20,21)(H,16,17,19)
InChIKeyLLRBCPDPKRTECQ-UHFFFAOYSA-N
XLogP1.87
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.64
LogP ≤ 51.87
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-chloro-N-(6-chloro-5-fluoro-2-pyridinyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 166687312
3-chloro-N-(3-chloro-2,4-difluorophenyl)-4-(2,2-dimethylpropylsulfonyl)-1-methylpyrrole-2-carboxamide
CID 158870079
N-(3-cyano-4-fluorophenyl)-3-fluoro-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 144745454
3-chloro-N-(3,4-difluorophenyl)-1-methyl-4-[(1,1,1-trifluoropropan-2-ylamino)sulfamoyl]pyrrole-2-carboxamide
CID 162609065
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide
CID 87181448
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-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-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 118302142
3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 107953731
2,4-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129231
3-chloro-N-(2-chloro-4-pyridinyl)-4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 118302349
3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 142392406

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 166687331) is N-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide is Cn1cc(S(N)(=O)=O)c(Cl)c1C(=O)Nc1ccc(F)c(Br)n1.
What is the InChIKey of N-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is LLRBCPDPKRTECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN4O3S/c1-18-4-6(22(15,20)21)8(13)9(18)11(19)17-7-3-2-5(14)10(12)16-7/h2-4H,1H3,(H2,15,20,21)(H,16,17,19).
What are the key properties of N-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 411.64 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-5-fluoro-2-pyridinyl)-3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 166687331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).