N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

C17H13ClFN3O3S — CID 52914310

IUPACN-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)Cc2ccc(F)cc2Cl)c1)c1ccccn1
InChIInChI=1S/C17H13ClFN3O3S/c18-15-9-13(19)5-4-12(15)11-26(24,25)22-8-6-14(10-22)21-17(23)16-3-1-2-7-20-16/h1-10H,11H2,(H,21,23)
InChIKeySBUHILQFLYGCOQ-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.31
Rot. Bonds5

About N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 52914310) has the molecular formula C17H13ClFN3O3S and a molecular weight of 393.83 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
PubChem CID52914310
Molecular FormulaC17H13ClFN3O3S
Molecular Weight393.83 g/mol
Exact Mass393.04
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)Cc2ccc(F)cc2Cl)c1)c1ccccn1
InChIInChI=1S/C17H13ClFN3O3S/c18-15-9-13(19)5-4-12(15)11-26(24,25)22-8-6-14(10-22)21-17(23)16-3-1-2-7-20-16/h1-10H,11H2,(H,21,23)
InChIKeySBUHILQFLYGCOQ-UHFFFAOYSA-N
XLogP3.31
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 51039270
2-Chloro-N-pyridin-3-yl-5-(pyrrolidine-1-sulfonyl)-benzamide
CID 1316771
N-(4-(2-chlorobenzylsulfonyl)phenyl)picolinamide
CID 49865452
N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 51347212
N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52913077
N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913659
N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913660
N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52913768
N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52913772
N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52913885
N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914100
N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914105

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (CID 52914310) is N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is O=C(Nc1ccn(S(=O)(=O)Cc2ccc(F)cc2Cl)c1)c1ccccn1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is SBUHILQFLYGCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3S/c18-15-9-13(19)5-4-12(15)11-26(24,25)22-8-6-14(10-22)21-17(23)16-3-1-2-7-20-16/h1-10H,11H2,(H,21,23).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52914310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).