N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide

C15H18N4O4S — CID 164636354

IUPACN-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide
SMILESCC(C)n1ncc2cc(S(=O)(=O)N[C@H]3CC(=O)N(C)C3=O)ccc21
InChIInChI=1S/C15H18N4O4S/c1-9(2)19-13-5-4-11(6-10(13)8-16-19)24(22,23)17-12-7-14(20)18(3)15(12)21/h4-6,8-9,12,17H,7H2,1-3H3/t12-/m0/s1
InChIKeyXNPBVFCKNZMSOZ-LBPRGKRZSA-N
MW350.40 g/mol
LogP0.65
Rot. Bonds4

About N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide

N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide (PubChem CID 164636354) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide
PubChem CID164636354
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide
SMILESCC(C)n1ncc2cc(S(=O)(=O)N[C@H]3CC(=O)N(C)C3=O)ccc21
InChIInChI=1S/C15H18N4O4S/c1-9(2)19-13-5-4-11(6-10(13)8-16-19)24(22,23)17-12-7-14(20)18(3)15(12)21/h4-6,8-9,12,17H,7H2,1-3H3/t12-/m0/s1
InChIKeyXNPBVFCKNZMSOZ-LBPRGKRZSA-N
XLogP0.65
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-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

US9156811, Ddd71237
CID 17484664
US10239843, Example 492
CID 121398650
1-acetyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 168270144
1-acetyl-5-(pyrrolidine-1-sulfonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 20956474
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 71890317
N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 138047181
1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 52832455
N-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-4-[(1R)-1-bromoethyl]-3,3-difluoro-4-methyl-1-oxohex-5-en-2-yl]-2-methylindazole-5-sulfonamide
CID 135175214
N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide
CID 71737755
N-(1-methylindazol-7-yl)-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide
CID 171918684
N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide
CID 171918685
N-(1-methylindazol-7-yl)-1-[(4S)-1-methyl-2-oxopiperidin-4-yl]pyrazole-4-sulfonamide
CID 175679496

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide?
The IUPAC name of N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide (CID 164636354) is N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide.
What is the SMILES notation for N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide?
The canonical SMILES for N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide is CC(C)n1ncc2cc(S(=O)(=O)N[C@H]3CC(=O)N(C)C3=O)ccc21.
What is the InChIKey of N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide?
The InChIKey is XNPBVFCKNZMSOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-9(2)19-13-5-4-11(6-10(13)8-16-19)24(22,23)17-12-7-14(20)18(3)15(12)21/h4-6,8-9,12,17H,7H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide?
N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide has a molecular weight of 350.40 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-1-propan-2-ylindazole-5-sulfonamide is sourced from PubChem (CID 164636354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).