N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide

C19H17N5O2S — CID 43064369

IUPACN-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESN#Cc1cnn(-c2ccccc2NS(=O)(=O)c2ccc3c(c2)CCC3)c1N
InChIInChI=1S/C19H17N5O2S/c20-11-15-12-22-24(19(15)21)18-7-2-1-6-17(18)23-27(25,26)16-9-8-13-4-3-5-14(13)10-16/h1-2,6-10,12,23H,3-5,21H2
InChIKeyVJPAAHOZOLPWDB-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.62
Rot. Bonds4

About N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 43064369) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID43064369
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESN#Cc1cnn(-c2ccccc2NS(=O)(=O)c2ccc3c(c2)CCC3)c1N
InChIInChI=1S/C19H17N5O2S/c20-11-15-12-22-24(19(15)21)18-7-2-1-6-17(18)23-27(25,26)16-9-8-13-4-3-5-14(13)10-16/h1-2,6-10,12,23H,3-5,21H2
InChIKeyVJPAAHOZOLPWDB-UHFFFAOYSA-N
XLogP2.62
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 43064369) is N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is N#Cc1cnn(-c2ccccc2NS(=O)(=O)c2ccc3c(c2)CCC3)c1N.
What is the InChIKey of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is VJPAAHOZOLPWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c20-11-15-12-22-24(19(15)21)18-7-2-1-6-17(18)23-27(25,26)16-9-8-13-4-3-5-14(13)10-16/h1-2,6-10,12,23H,3-5,21H2.
What are the key properties of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 379.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 43064369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).