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

C17H14ClN3O3S — CID 52913077

IUPACN-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)Cc2ccc(Cl)cc2)c1)c1ccccn1
InChIInChI=1S/C17H14ClN3O3S/c18-14-6-4-13(5-7-14)12-25(23,24)21-10-8-15(11-21)20-17(22)16-3-1-2-9-19-16/h1-11H,12H2,(H,20,22)
InChIKeyKCHDYLXSAMNEHX-UHFFFAOYSA-N
MW375.84 g/mol
LogP3.17
Rot. Bonds5

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

N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 52913077) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
PubChem CID52913077
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC NameN-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)Cc2ccc(Cl)cc2)c1)c1ccccn1
InChIInChI=1S/C17H14ClN3O3S/c18-14-6-4-13(5-7-14)12-25(23,24)21-10-8-15(11-21)20-17(22)16-3-1-2-9-19-16/h1-11H,12H2,(H,20,22)
InChIKeyKCHDYLXSAMNEHX-UHFFFAOYSA-N
XLogP3.17
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(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
N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52914310
N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914548

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (CID 52913077) is N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is O=C(Nc1ccn(S(=O)(=O)Cc2ccc(Cl)cc2)c1)c1ccccn1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is KCHDYLXSAMNEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c18-14-6-4-13(5-7-14)12-25(23,24)21-10-8-15(11-21)20-17(22)16-3-1-2-9-19-16/h1-11H,12H2,(H,20,22).
What are the key properties of N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52913077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).