N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide

C12H13N5O3S — CID 64512887

IUPACN-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H13N5O3S/c1-17(6-11-13-7-14-16-11)21(19,20)9-2-3-10-8(4-9)5-12(18)15-10/h2-4,7H,5-6H2,1H3,(H,15,18)(H,13,14,16)
InChIKeyURPRXTOVUSJCFB-UHFFFAOYSA-N
MW307.34 g/mol
LogP0.12
Rot. Bonds4

About N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide

N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide (PubChem CID 64512887) has the molecular formula C12H13N5O3S and a molecular weight of 307.34 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide
PubChem CID64512887
Molecular FormulaC12H13N5O3S
Molecular Weight307.34 g/mol
Exact Mass307.07
IUPAC NameN-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H13N5O3S/c1-17(6-11-13-7-14-16-11)21(19,20)9-2-3-10-8(4-9)5-12(18)15-10/h2-4,7H,5-6H2,1H3,(H,15,18)(H,13,14,16)
InChIKeyURPRXTOVUSJCFB-UHFFFAOYSA-N
XLogP0.12
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide (CID 64512887) is N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide is CN(Cc1ncn[nH]1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The InChIKey is URPRXTOVUSJCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c1-17(6-11-13-7-14-16-11)21(19,20)9-2-3-10-8(4-9)5-12(18)15-10/h2-4,7H,5-6H2,1H3,(H,15,18)(H,13,14,16).
What are the key properties of N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide has a molecular weight of 307.34 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 64512887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).