1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide

C21H18ClN3O3S — CID 17018245

IUPAC1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O3S/c22-17-5-7-19(8-6-17)29(27,28)25-12-10-15-13-16(4-9-20(15)25)21(26)24-14-18-3-1-2-11-23-18/h1-9,11,13H,10,12,14H2,(H,24,26)
InChIKeyUGMJXXGTDSLCHS-UHFFFAOYSA-N
MW427.91 g/mol
LogP3.42
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 17018245) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
PubChem CID17018245
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O3S/c22-17-5-7-19(8-6-17)29(27,28)25-12-10-15-13-16(4-9-20(15)25)21(26)24-14-18-3-1-2-11-23-18/h1-9,11,13H,10,12,14H2,(H,24,26)
InChIKeyUGMJXXGTDSLCHS-UHFFFAOYSA-N
XLogP3.42
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide (CID 17018245) is 1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide is O=C(NCc1ccccn1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is UGMJXXGTDSLCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c22-17-5-7-19(8-6-17)29(27,28)25-12-10-15-13-16(4-9-20(15)25)21(26)24-14-18-3-1-2-11-23-18/h1-9,11,13H,10,12,14H2,(H,24,26).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 427.91 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 17018245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).