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

C14H16N2O4S — CID 126803443

IUPACN-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide
SMILESCCC1(CNS(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)CC1
InChIInChI=1S/C14H16N2O4S/c1-2-14(5-6-14)8-15-21(19,20)9-3-4-11-10(7-9)12(17)13(18)16-11/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17,18)
InChIKeyRPQKBFCWCNEMCL-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.29
Rot. Bonds5

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

N-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide (PubChem CID 126803443) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide
PubChem CID126803443
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide
SMILESCCC1(CNS(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)CC1
InChIInChI=1S/C14H16N2O4S/c1-2-14(5-6-14)8-15-21(19,20)9-3-4-11-10(7-9)12(17)13(18)16-11/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17,18)
InChIKeyRPQKBFCWCNEMCL-UHFFFAOYSA-N
XLogP1.29
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide
CID 103737613
4-amino-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide
CID 114099078
2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide
CID 59763032
N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 126815166
N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide
CID 5115250
2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride
CID 87793086
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 113313712
N-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 115456564
4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 114101242
N-[(1-ethylcyclopropyl)methyl]-4-fluoro-3-methyl-5-nitrobenzenesulfonamide
CID 103896429
2-N-[(1-ethylcyclopropyl)methyl]benzene-1,2-disulfonamide
CID 114101616
3,4-dichloro-N-[[1-(chloromethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115456637

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide (CID 126803443) is N-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide is CCC1(CNS(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide?
The InChIKey is RPQKBFCWCNEMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-2-14(5-6-14)8-15-21(19,20)9-3-4-11-10(7-9)12(17)13(18)16-11/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17,18).
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide?
N-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 126803443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).