2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide

C23H20ClFN4O3S — CID 10163243

IUPAC2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
SMILESO=C(Cc1c(F)ccc(NS(=O)(=O)Cc2ccccc2)c1Cl)NCc1cc2cc[nH]c2cn1
InChIInChI=1S/C23H20ClFN4O3S/c24-23-18(11-22(30)28-12-17-10-16-8-9-26-21(16)13-27-17)19(25)6-7-20(23)29-33(31,32)14-15-4-2-1-3-5-15/h1-10,13,26,29H,11-12,14H2,(H,28,30)
InChIKeyAERCZCQPJRAZLR-UHFFFAOYSA-N
MW486.96 g/mol
LogP4.16
Rot. Bonds8

About 2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide

2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide (PubChem CID 10163243) has the molecular formula C23H20ClFN4O3S and a molecular weight of 486.96 g/mol. Its IUPAC name is 2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
PubChem CID10163243
Molecular FormulaC23H20ClFN4O3S
Molecular Weight486.96 g/mol
Exact Mass486.09
IUPAC Name2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
SMILESO=C(Cc1c(F)ccc(NS(=O)(=O)Cc2ccccc2)c1Cl)NCc1cc2cc[nH]c2cn1
InChIInChI=1S/C23H20ClFN4O3S/c24-23-18(11-22(30)28-12-17-10-16-8-9-26-21(16)13-27-17)19(25)6-7-20(23)29-33(31,32)14-15-4-2-1-3-5-15/h1-10,13,26,29H,11-12,14H2,(H,28,30)
InChIKeyAERCZCQPJRAZLR-UHFFFAOYSA-N
XLogP4.16
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The IUPAC name of 2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide (CID 10163243) is 2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide is O=C(Cc1c(F)ccc(NS(=O)(=O)Cc2ccccc2)c1Cl)NCc1cc2cc[nH]c2cn1.
What is the InChIKey of 2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The InChIKey is AERCZCQPJRAZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O3S/c24-23-18(11-22(30)28-12-17-10-16-8-9-26-21(16)13-27-17)19(25)6-7-20(23)29-33(31,32)14-15-4-2-1-3-5-15/h1-10,13,26,29H,11-12,14H2,(H,28,30).
What are the key properties of 2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide has a molecular weight of 486.96 g/mol, XLogP of 4.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylsulfonylamino)-2-chloro-6-fluorophenyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide is sourced from PubChem (CID 10163243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).