N-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide

C22H18FN3O4S — CID 163709157

IUPACN-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cc(F)ccc1S(=O)(=O)c1ccc(CNC(=O)C2C=c3cnccc3=N2)cc1
InChIInChI=1S/C22H18FN3O4S/c1-30-20-11-16(23)4-7-21(20)31(28,29)17-5-2-14(3-6-17)12-25-22(27)19-10-15-13-24-9-8-18(15)26-19/h2-11,13,19H,12H2,1H3,(H,25,27)
InChIKeyKHRVFCVIEDDLQX-UHFFFAOYSA-N
MW439.47 g/mol
LogP1.16
Rot. Bonds6

About N-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 163709157) has the molecular formula C22H18FN3O4S and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID163709157
Molecular FormulaC22H18FN3O4S
Molecular Weight439.47 g/mol
Exact Mass439.10
IUPAC NameN-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cc(F)ccc1S(=O)(=O)c1ccc(CNC(=O)C2C=c3cnccc3=N2)cc1
InChIInChI=1S/C22H18FN3O4S/c1-30-20-11-16(23)4-7-21(20)31(28,29)17-5-2-14(3-6-17)12-25-22(27)19-10-15-13-24-9-8-18(15)26-19/h2-11,13,19H,12H2,1H3,(H,25,27)
InChIKeyKHRVFCVIEDDLQX-UHFFFAOYSA-N
XLogP1.16
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 163929936
N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 163619942
N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012795
N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 138592993
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874975
N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66613869
1-[[4-(5-fluoro-2-methoxyphenyl)sulfonylphenyl]carbamoyl-(pyridin-3-ylmethyl)amino]-3-[4-(2-methoxyphenyl)sulfonylphenyl]-1-(pyridin-3-ylmethyl)urea
CID 123588420
N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28549809
N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 146220988
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 28550303
N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 54582823
1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1088313

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 163709157) is N-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide is COc1cc(F)ccc1S(=O)(=O)c1ccc(CNC(=O)C2C=c3cnccc3=N2)cc1.
What is the InChIKey of N-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is KHRVFCVIEDDLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4S/c1-30-20-11-16(23)4-7-21(20)31(28,29)17-5-2-14(3-6-17)12-25-22(27)19-10-15-13-24-9-8-18(15)26-19/h2-11,13,19H,12H2,1H3,(H,25,27).
What are the key properties of N-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 163709157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).