N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide

C18H24N4O2S — CID 56876337

IUPACN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCc1[nH]c2c(CNS(=O)(=O)c3cnn(C)c3C)cc(C)cc2c1C
InChIInChI=1S/C18H24N4O2S/c1-6-16-12(3)15-8-11(2)7-14(18(15)21-16)9-20-25(23,24)17-10-19-22(5)13(17)4/h7-8,10,20-21H,6,9H2,1-5H3
InChIKeyPHBWIUJRYSEDAN-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.87
Rot. Bonds5

About N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide

N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 56876337) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID56876337
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCc1[nH]c2c(CNS(=O)(=O)c3cnn(C)c3C)cc(C)cc2c1C
InChIInChI=1S/C18H24N4O2S/c1-6-16-12(3)15-8-11(2)7-14(18(15)21-16)9-20-25(23,24)17-10-19-22(5)13(17)4/h7-8,10,20-21H,6,9H2,1-5H3
InChIKeyPHBWIUJRYSEDAN-UHFFFAOYSA-N
XLogP2.87
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide (CID 56876337) is N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide is CCc1[nH]c2c(CNS(=O)(=O)c3cnn(C)c3C)cc(C)cc2c1C.
What is the InChIKey of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is PHBWIUJRYSEDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-6-16-12(3)15-8-11(2)7-14(18(15)21-16)9-20-25(23,24)17-10-19-22(5)13(17)4/h7-8,10,20-21H,6,9H2,1-5H3.
What are the key properties of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 56876337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).