N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide

C16H20N4O2S — CID 138014522

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide
SMILESCCn1nc(C)c(NS(=O)(=O)c2cccc3ccn(C)c23)c1C
InChIInChI=1S/C16H20N4O2S/c1-5-20-12(3)15(11(2)17-20)18-23(21,22)14-8-6-7-13-9-10-19(4)16(13)14/h6-10,18H,5H2,1-4H3
InChIKeyYLLGXEHUNKKFDS-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.81
Rot. Bonds4

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide (PubChem CID 138014522) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide
PubChem CID138014522
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide
SMILESCCn1nc(C)c(NS(=O)(=O)c2cccc3ccn(C)c23)c1C
InChIInChI=1S/C16H20N4O2S/c1-5-20-12(3)15(11(2)17-20)18-23(21,22)14-8-6-7-13-9-10-19(4)16(13)14/h6-10,18H,5H2,1-4H3
InChIKeyYLLGXEHUNKKFDS-UHFFFAOYSA-N
XLogP2.81
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide (CID 138014522) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide is CCn1nc(C)c(NS(=O)(=O)c2cccc3ccn(C)c23)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide?
The InChIKey is YLLGXEHUNKKFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-5-20-12(3)15(11(2)17-20)18-23(21,22)14-8-6-7-13-9-10-19(4)16(13)14/h6-10,18H,5H2,1-4H3.
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide is sourced from PubChem (CID 138014522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).