N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C22H17ClN2O4S — CID 66609129

IUPACN-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c(Cl)c1
InChIInChI=1S/C22H17ClN2O4S/c1-14-2-7-21(18(23)10-14)30(27,28)17-5-3-15(4-6-17)12-25-22(26)19-11-16-8-9-24-13-20(16)29-19/h2-11,13H,12H2,1H3,(H,25,26)
InChIKeyPXSIYPIZECMOGG-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.55
Rot. Bonds5

About N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 66609129) has the molecular formula C22H17ClN2O4S and a molecular weight of 440.91 g/mol. Its IUPAC name is N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID66609129
Molecular FormulaC22H17ClN2O4S
Molecular Weight440.91 g/mol
Exact Mass440.06
IUPAC NameN-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c(Cl)c1
InChIInChI=1S/C22H17ClN2O4S/c1-14-2-7-21(18(23)10-14)30(27,28)17-5-3-15(4-6-17)12-25-22(26)19-11-16-8-9-24-13-20(16)29-19/h2-11,13H,12H2,1H3,(H,25,26)
InChIKeyPXSIYPIZECMOGG-UHFFFAOYSA-N
XLogP4.55
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 68276577
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furo[3,2-c]pyridine-2-carboxamide
CID 68276608
N-(4-(phenylsulfonyl)benzyl)furo[2,3-c]pyridine-2-carboxamide
CID 68277935
N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71726495
N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]carbamic acid phenyl ester
CID 71727460
N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71727683
N-(4-((1-isopropyl-1H-pyrazol-4-yl)sulfonyl)benzyl)furo[2,3-c]pyridine-2-carboxamide
CID 71727801
5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71727929
N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71728054
Furo[2,3-c]pyridine-2-carboxylic acid 4-(piperidine-1-sulfonyl)-benzylamide
CID 71818155
N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71818875
N-[[4-[4-(oxetan-3-yl)piperazin-1-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 76311095

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 66609129) is N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c(Cl)c1.
What is the InChIKey of N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is PXSIYPIZECMOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4S/c1-14-2-7-21(18(23)10-14)30(27,28)17-5-3-15(4-6-17)12-25-22(26)19-11-16-8-9-24-13-20(16)29-19/h2-11,13H,12H2,1H3,(H,25,26).
What are the key properties of N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 440.91 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 66609129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).