N-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide

C16H15N3O4S — CID 24792807

IUPACN-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H15N3O4S/c1-2-18(12-6-4-3-5-7-12)24(22,23)16-11-17-15-9-8-13(19(20)21)10-14(15)16/h3-11,17H,2H2,1H3
InChIKeyHAUBECJOHMSCGU-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.29
Rot. Bonds5

About N-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide

N-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide (PubChem CID 24792807) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide
PubChem CID24792807
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H15N3O4S/c1-2-18(12-6-4-3-5-7-12)24(22,23)16-11-17-15-9-8-13(19(20)21)10-14(15)16/h3-11,17H,2H2,1H3
InChIKeyHAUBECJOHMSCGU-UHFFFAOYSA-N
XLogP3.29
TPSA96.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide?
The IUPAC name of N-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide (CID 24792807) is N-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide.
What is the SMILES notation for N-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide?
The canonical SMILES for N-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide?
The InChIKey is HAUBECJOHMSCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-2-18(12-6-4-3-5-7-12)24(22,23)16-11-17-15-9-8-13(19(20)21)10-14(15)16/h3-11,17H,2H2,1H3.
What are the key properties of N-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide?
N-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide has a molecular weight of 345.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-nitro-N-phenyl-1H-indole-3-sulfonamide is sourced from PubChem (CID 24792807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).