N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide

C16H17N5O2S — CID 127267488

IUPACN-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1c(C#N)c(NS(=O)(=O)c2cnn(C(C)C)c2)n2ccccc12
InChIInChI=1S/C16H17N5O2S/c1-11(2)21-10-13(9-18-21)24(22,23)19-16-14(8-17)12(3)15-6-4-5-7-20(15)16/h4-7,9-11,19H,1-3H3
InChIKeyWDUVHGUHKGYHPY-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.70
Rot. Bonds4

About N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide

N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 127267488) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID127267488
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1c(C#N)c(NS(=O)(=O)c2cnn(C(C)C)c2)n2ccccc12
InChIInChI=1S/C16H17N5O2S/c1-11(2)21-10-13(9-18-21)24(22,23)19-16-14(8-17)12(3)15-6-4-5-7-20(15)16/h4-7,9-11,19H,1-3H3
InChIKeyWDUVHGUHKGYHPY-UHFFFAOYSA-N
XLogP2.70
TPSA92.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 127267488) is N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide is Cc1c(C#N)c(NS(=O)(=O)c2cnn(C(C)C)c2)n2ccccc12.
What is the InChIKey of N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is WDUVHGUHKGYHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-11(2)21-10-13(9-18-21)24(22,23)19-16-14(8-17)12(3)15-6-4-5-7-20(15)16/h4-7,9-11,19H,1-3H3.
What are the key properties of N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 127267488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).