N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

C15H20N2O3S — CID 126815166

IUPACN-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCC1(CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1
InChIInChI=1S/C15H20N2O3S/c1-3-15(6-7-15)10-16-21(19,20)12-4-5-13-11(8-12)9-14(18)17(13)2/h4-5,8,16H,3,6-7,9-10H2,1-2H3
InChIKeyNPJILKSMBDCBQG-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.67
Rot. Bonds5

About N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 126815166) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID126815166
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCC1(CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1
InChIInChI=1S/C15H20N2O3S/c1-3-15(6-7-15)10-16-21(19,20)12-4-5-13-11(8-12)9-14(18)17(13)2/h4-5,8,16H,3,6-7,9-10H2,1-2H3
InChIKeyNPJILKSMBDCBQG-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 126815166) is N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is CCC1(CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is NPJILKSMBDCBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-15(6-7-15)10-16-21(19,20)12-4-5-13-11(8-12)9-14(18)17(13)2/h4-5,8,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 126815166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).