1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole

C17H17N3O2S2 — CID 20947539

IUPAC1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)N3CCc4ccccc43)s2)c1C
InChIInChI=1S/C17H17N3O2S2/c1-11-12(2)18-19-17(11)15-7-8-16(23-15)24(21,22)20-10-9-13-5-3-4-6-14(13)20/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyZXXQMBZQAPCDHD-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.51
Rot. Bonds3

About 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole

1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole (PubChem CID 20947539) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole
PubChem CID20947539
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)N3CCc4ccccc43)s2)c1C
InChIInChI=1S/C17H17N3O2S2/c1-11-12(2)18-19-17(11)15-7-8-16(23-15)24(21,22)20-10-9-13-5-3-4-6-14(13)20/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyZXXQMBZQAPCDHD-UHFFFAOYSA-N
XLogP3.51
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole (CID 20947539) is 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole is Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCc4ccccc43)s2)c1C.
What is the InChIKey of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole?
The InChIKey is ZXXQMBZQAPCDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-11-12(2)18-19-17(11)15-7-8-16(23-15)24(21,22)20-10-9-13-5-3-4-6-14(13)20/h3-8H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole?
1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole has a molecular weight of 359.48 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 20947539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).