N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C15H18N4O3S — CID 110716719

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1cc(C)n(CCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1
InChIInChI=1S/C15H18N4O3S/c1-10-7-11(2)19(18-10)6-5-16-23(21,22)13-3-4-14-12(8-13)9-15(20)17-14/h3-4,7-8,16H,5-6,9H2,1-2H3,(H,17,20)
InChIKeyHEWVKAHRLDOWHY-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.97
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 110716719) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID110716719
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1cc(C)n(CCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1
InChIInChI=1S/C15H18N4O3S/c1-10-7-11(2)19(18-10)6-5-16-23(21,22)13-3-4-14-12(8-13)9-15(20)17-14/h3-4,7-8,16H,5-6,9H2,1-2H3,(H,17,20)
InChIKeyHEWVKAHRLDOWHY-UHFFFAOYSA-N
XLogP0.97
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110716726
3,4-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 110716709
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110789291
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110641619
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide
CID 110789472
N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110398488
N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113083964
N-[2-(4-chlorophenyl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113098245
4-fluoro-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 110788495
N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide
CID 9055811
N-[4-(4-fluorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110288772

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 110716719) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is Cc1cc(C)n(CCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is HEWVKAHRLDOWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10-7-11(2)19(18-10)6-5-16-23(21,22)13-3-4-14-12(8-13)9-15(20)17-14/h3-4,7-8,16H,5-6,9H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110716719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).