N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide

C17H14N6O4S — CID 167843166

IUPACN-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n(-c2ccccn2)n1
InChIInChI=1S/C17H14N6O4S/c1-11-8-17(22(20-11)16-4-2-3-7-18-16)21-28(26,27)15-10-19-14-9-12(23(24)25)5-6-13(14)15/h2-10,19,21H,1H3
InChIKeyLHFNMPRFYASFPW-UHFFFAOYSA-N
MW398.40 g/mol
LogP2.77
Rot. Bonds5

About N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide

N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide (PubChem CID 167843166) has the molecular formula C17H14N6O4S and a molecular weight of 398.40 g/mol. Its IUPAC name is N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide
PubChem CID167843166
Molecular FormulaC17H14N6O4S
Molecular Weight398.40 g/mol
Exact Mass398.08
IUPAC NameN-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n(-c2ccccn2)n1
InChIInChI=1S/C17H14N6O4S/c1-11-8-17(22(20-11)16-4-2-3-7-18-16)21-28(26,27)15-10-19-14-9-12(23(24)25)5-6-13(14)15/h2-10,19,21H,1H3
InChIKeyLHFNMPRFYASFPW-UHFFFAOYSA-N
XLogP2.77
TPSA135.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide?
The IUPAC name of N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide (CID 167843166) is N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide.
What is the SMILES notation for N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide?
The canonical SMILES for N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide is Cc1cc(NS(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n(-c2ccccn2)n1.
What is the InChIKey of N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide?
The InChIKey is LHFNMPRFYASFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O4S/c1-11-8-17(22(20-11)16-4-2-3-7-18-16)21-28(26,27)15-10-19-14-9-12(23(24)25)5-6-13(14)15/h2-10,19,21H,1H3.
What are the key properties of N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide?
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide has a molecular weight of 398.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide is sourced from PubChem (CID 167843166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).