N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide

C17H22N4O3S — CID 60612735

IUPACN-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C17H22N4O3S/c1-11(2)8-13-10-15(20-19-13)17(22)21-7-6-12-9-14(4-5-16(12)21)25(23,24)18-3/h4-5,9-11,18H,6-8H2,1-3H3,(H,19,20)
InChIKeyNRFYKHWEEYZKED-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.72
Rot. Bonds5

About N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide

N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 60612735) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID60612735
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C17H22N4O3S/c1-11(2)8-13-10-15(20-19-13)17(22)21-7-6-12-9-14(4-5-16(12)21)25(23,24)18-3/h4-5,9-11,18H,6-8H2,1-3H3,(H,19,20)
InChIKeyNRFYKHWEEYZKED-UHFFFAOYSA-N
XLogP1.72
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-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

Related Compounds

N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 51098284
1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 119305331
1-(6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carbonyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 46968266
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 93065305
N-methyl-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 60612946
N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide
CID 166411880
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 51130845
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 20858685
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide (CID 60612735) is N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(CC(C)C)[nH]n1.
What is the InChIKey of N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is NRFYKHWEEYZKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11(2)8-13-10-15(20-19-13)17(22)21-7-6-12-9-14(4-5-16(12)21)25(23,24)18-3/h4-5,9-11,18H,6-8H2,1-3H3,(H,19,20).
What are the key properties of N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide?
N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 60612735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).