4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

C20H13N3O2S — CID 175995945

IUPAC4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2cncc3c2ccn3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H13N3O2S/c21-12-15-6-8-16(9-7-15)19-13-22-14-20-18(19)10-11-23(20)26(24,25)17-4-2-1-3-5-17/h1-11,13-14H
InChIKeySLRZZOQYVGKIOE-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.81
Rot. Bonds3

About 4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (PubChem CID 175995945) has the molecular formula C20H13N3O2S and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
PubChem CID175995945
Molecular FormulaC20H13N3O2S
Molecular Weight359.41 g/mol
Exact Mass359.07
IUPAC Name4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2cncc3c2ccn3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H13N3O2S/c21-12-15-6-8-16(9-7-15)19-13-22-14-20-18(19)10-11-23(20)26(24,25)17-4-2-1-3-5-17/h1-11,13-14H
InChIKeySLRZZOQYVGKIOE-UHFFFAOYSA-N
XLogP3.81
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[4-(trifluoromethyl)benzoyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 175996008
4-[1-(4-cyanophenyl)sulfonyl-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 175996140
1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine
CID 68762479
4-[1-(4-methoxyphenyl)sulfonylindol-7-yl]benzonitrile
CID 66758031
4-(1,7-naphthyridin-5-yl)benzonitrile
CID 174888795
4-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile
CID 175996016
4-[10-(benzenesulfonyl)-4-[(1R)-1-hydroxyethyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]benzonitrile
CID 163210539
4-[4-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[4,3-b][1,4]thiazin-8-yl]benzonitrile
CID 175995856
4-[4-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile
CID 175995954
1-(benzenesulfonyl)-4-chloroindole
CID 11716255
1-(benzenesulfonyl)-3-pyridin-4-ylindole
CID 162652278
4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile
CID 154620327

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The IUPAC name of 4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (CID 175995945) is 4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The canonical SMILES for 4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is N#Cc1ccc(-c2cncc3c2ccn3S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The InChIKey is SLRZZOQYVGKIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2S/c21-12-15-6-8-16(9-7-15)19-13-22-14-20-18(19)10-11-23(20)26(24,25)17-4-2-1-3-5-17/h1-11,13-14H.
What are the key properties of 4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile has a molecular weight of 359.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 175995945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).