N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C22H15ClF3N3O3S — CID 66611916

IUPACN-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C22H15ClF3N3O3S/c23-18-6-5-16(10-17(18)22(24,25)26)33(31,32)15-3-1-13(2-4-15)11-28-21(30)20-9-14-12-27-8-7-19(14)29-20/h1-10,12,29H,11H2,(H,28,30)
InChIKeyPOLNSXAKVXCQKV-UHFFFAOYSA-N
MW493.89 g/mol
LogP5.00
Rot. Bonds5

About N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 66611916) has the molecular formula C22H15ClF3N3O3S and a molecular weight of 493.89 g/mol. Its IUPAC name is N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID66611916
Molecular FormulaC22H15ClF3N3O3S
Molecular Weight493.89 g/mol
Exact Mass493.05
IUPAC NameN-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C22H15ClF3N3O3S/c23-18-6-5-16(10-17(18)22(24,25)26)33(31,32)15-3-1-13(2-4-15)11-28-21(30)20-9-14-12-27-8-7-19(14)29-20/h1-10,12,29H,11H2,(H,28,30)
InChIKeyPOLNSXAKVXCQKV-UHFFFAOYSA-N
XLogP5.00
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.89
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66613453
N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66613869
N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66609492
N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90021112
N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 134132017
N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 118005466
N-[[4-[(2-propan-2-yloxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 56943341
N-[[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]isoquinoline-7-carboxamide
CID 155109654
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70983957
N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 159869499
N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90013163

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 66611916) is N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is POLNSXAKVXCQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O3S/c23-18-6-5-16(10-17(18)22(24,25)26)33(31,32)15-3-1-13(2-4-15)11-28-21(30)20-9-14-12-27-8-7-19(14)29-20/h1-10,12,29H,11H2,(H,28,30).
What are the key properties of N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 493.89 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 66611916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).