4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide

C22H19N3O3S — CID 146685867

IUPAC4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide
SMILESCS(=O)(=O)Nc1ccc(-c2cnc3c(c2)C(c2ccc(C(N)=O)cc2)=CC3)cc1
InChIInChI=1S/C22H19N3O3S/c1-29(27,28)25-18-8-6-14(7-9-18)17-12-20-19(10-11-21(20)24-13-17)15-2-4-16(5-3-15)22(23)26/h2-10,12-13,25H,11H2,1H3,(H2,23,26)
InChIKeyPOOOXTXLXLCIKZ-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.21
Rot. Bonds5

About 4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide

4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide (PubChem CID 146685867) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide
PubChem CID146685867
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide
SMILESCS(=O)(=O)Nc1ccc(-c2cnc3c(c2)C(c2ccc(C(N)=O)cc2)=CC3)cc1
InChIInChI=1S/C22H19N3O3S/c1-29(27,28)25-18-8-6-14(7-9-18)17-12-20-19(10-11-21(20)24-13-17)15-2-4-16(5-3-15)22(23)26/h2-10,12-13,25H,11H2,1H3,(H2,23,26)
InChIKeyPOOOXTXLXLCIKZ-UHFFFAOYSA-N
XLogP3.21
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide?
The IUPAC name of 4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide (CID 146685867) is 4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide.
What is the SMILES notation for 4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide?
The canonical SMILES for 4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide is CS(=O)(=O)Nc1ccc(-c2cnc3c(c2)C(c2ccc(C(N)=O)cc2)=CC3)cc1.
What is the InChIKey of 4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide?
The InChIKey is POOOXTXLXLCIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-29(27,28)25-18-8-6-14(7-9-18)17-12-20-19(10-11-21(20)24-13-17)15-2-4-16(5-3-15)22(23)26/h2-10,12-13,25H,11H2,1H3,(H2,23,26).
What are the key properties of 4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide?
4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide has a molecular weight of 405.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide is sourced from PubChem (CID 146685867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).