N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C16H15N3O3S — CID 134130638

IUPACN-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1
InChIInChI=1S/C16H15N3O3S/c1-23(21,22)13-4-2-11(3-5-13)9-18-16(20)15-8-12-10-17-7-6-14(12)19-15/h2-8,10,19H,9H2,1H3,(H,18,20)
InChIKeyMZTCUMXFMVRANG-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.90
Rot. Bonds4

About N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 134130638) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID134130638
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1
InChIInChI=1S/C16H15N3O3S/c1-23(21,22)13-4-2-11(3-5-13)9-18-16(20)15-8-12-10-17-7-6-14(12)19-15/h2-8,10,19H,9H2,1H3,(H,18,20)
InChIKeyMZTCUMXFMVRANG-UHFFFAOYSA-N
XLogP1.90
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(Phenylsulfonyl)benzyl)-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide
CID 66609622
N-[4-(Piperidin-1-Ylsulfonyl)benzyl]-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide
CID 66610019
N-[4-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70984701
N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155558268
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-[(4-pyridin-3-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 56837162
N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66610342
N-[[4-(4-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66613538
N-[[4-(2-methylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66613587
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 66613705
N-[2-[4-(Phenylsulfonyl)phenyl]ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 68276701

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 134130638) is N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is MZTCUMXFMVRANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-23(21,22)13-4-2-11(3-5-13)9-18-16(20)15-8-12-10-17-7-6-14(12)19-15/h2-8,10,19H,9H2,1H3,(H,18,20).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 134130638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).