N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide

C17H15N3O4S — CID 52914544

IUPACN-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESCOc1ccccc1S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1
InChIInChI=1S/C17H15N3O4S/c1-24-15-7-2-3-8-16(15)25(22,23)20-11-9-13(12-20)19-17(21)14-6-4-5-10-18-14/h2-12H,1H3,(H,19,21)
InChIKeySDKSJKRQYCBCAO-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.38
Rot. Bonds5

About N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide

N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 52914544) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
PubChem CID52914544
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESCOc1ccccc1S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1
InChIInChI=1S/C17H15N3O4S/c1-24-15-7-2-3-8-16(15)25(22,23)20-11-9-13(12-20)19-17(21)14-6-4-5-10-18-14/h2-12H,1H3,(H,19,21)
InChIKeySDKSJKRQYCBCAO-UHFFFAOYSA-N
XLogP2.38
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43093324
N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914667
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 4811508
ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate
CID 73058476
N-[3-methoxy-4-(phenylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 45110912
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 137032504
N-[3-methoxy-4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 45110911
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]pyridine-2-carboxamide
CID 7908354
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 55834776

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (CID 52914544) is N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is COc1ccccc1S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1.
What is the InChIKey of N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is SDKSJKRQYCBCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-24-15-7-2-3-8-16(15)25(22,23)20-11-9-13(12-20)19-17(21)14-6-4-5-10-18-14/h2-12H,1H3,(H,19,21).
What are the key properties of N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52914544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).