6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide

C15H17ClN4OS — CID 176710941

IUPAC6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide
SMILESCCCc1cc(NS(=O)c2c[nH]c3cc(Cl)ccc23)nn1C
InChIInChI=1S/C15H17ClN4OS/c1-3-4-11-8-15(18-20(11)2)19-22(21)14-9-17-13-7-10(16)5-6-12(13)14/h5-9,17H,3-4H2,1-2H3,(H,18,19)
InChIKeyMTJXKVDLKYVWDT-UHFFFAOYSA-N
MW336.85 g/mol
LogP3.64
Rot. Bonds5

About 6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide

6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide (PubChem CID 176710941) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is 6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide.

Molecular Properties

Compound Name6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide
PubChem CID176710941
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide
SMILESCCCc1cc(NS(=O)c2c[nH]c3cc(Cl)ccc23)nn1C
InChIInChI=1S/C15H17ClN4OS/c1-3-4-11-8-15(18-20(11)2)19-22(21)14-9-17-13-7-10(16)5-6-12(13)14/h5-9,17H,3-4H2,1-2H3,(H,18,19)
InChIKeyMTJXKVDLKYVWDT-UHFFFAOYSA-N
XLogP3.64
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide?
The IUPAC name of 6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide (CID 176710941) is 6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide.
What is the SMILES notation for 6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide?
The canonical SMILES for 6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide is CCCc1cc(NS(=O)c2c[nH]c3cc(Cl)ccc23)nn1C.
What is the InChIKey of 6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide?
The InChIKey is MTJXKVDLKYVWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c1-3-4-11-8-15(18-20(11)2)19-22(21)14-9-17-13-7-10(16)5-6-12(13)14/h5-9,17H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide?
6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide has a molecular weight of 336.85 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide is sourced from PubChem (CID 176710941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).