N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide

C13H19N3O3S — CID 100830870

IUPACN-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2c(c1)c(OCC)nn2C
InChIInChI=1S/C13H19N3O3S/c1-4-8-20(17,18)15-10-6-7-12-11(9-10)13(19-5-2)14-16(12)3/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyCJIRJGUKSDDQGU-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.12
Rot. Bonds6

About N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide

N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide (PubChem CID 100830870) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide
PubChem CID100830870
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2c(c1)c(OCC)nn2C
InChIInChI=1S/C13H19N3O3S/c1-4-8-20(17,18)15-10-6-7-12-11(9-10)13(19-5-2)14-16(12)3/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyCJIRJGUKSDDQGU-UHFFFAOYSA-N
XLogP2.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide
CID 100830868
N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide
CID 100830616
N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 100830839
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998
N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide
CID 110779248
N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide
CID 110777401
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
2-ethoxy-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 63246299
2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide
CID 107650750
N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844247
2-(5-chloro-1-methylindazol-3-yl)oxyethanamine
CID 84690166

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide?
The IUPAC name of N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide (CID 100830870) is N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide?
The canonical SMILES for N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc2c(c1)c(OCC)nn2C.
What is the InChIKey of N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide?
The InChIKey is CJIRJGUKSDDQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-4-8-20(17,18)15-10-6-7-12-11(9-10)13(19-5-2)14-16(12)3/h6-7,9,15H,4-5,8H2,1-3H3.
What are the key properties of N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide?
N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 100830870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).