[(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol

C19H19N3O3S — CID 167858402

IUPAC[(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol
SMILESCn1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2CO)c(-c2ccccc2)n1
InChIInChI=1S/C19H19N3O3S/c1-21-12-18(19(20-21)14-7-3-2-4-8-14)26(24,25)22-16(13-23)11-15-9-5-6-10-17(15)22/h2-10,12,16,23H,11,13H2,1H3/t16-/m1/s1
InChIKeyOTJLLOZZNIBXIS-MRXNPFEDSA-N
MW369.45 g/mol
LogP2.20
Rot. Bonds4

About [(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol

[(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol (PubChem CID 167858402) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is [(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol
PubChem CID167858402
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name[(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol
SMILESCn1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2CO)c(-c2ccccc2)n1
InChIInChI=1S/C19H19N3O3S/c1-21-12-18(19(20-21)14-7-3-2-4-8-14)26(24,25)22-16(13-23)11-15-9-5-6-10-17(15)22/h2-10,12,16,23H,11,13H2,1H3/t16-/m1/s1
InChIKeyOTJLLOZZNIBXIS-MRXNPFEDSA-N
XLogP2.20
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol?
The IUPAC name of [(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol (CID 167858402) is [(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol?
The canonical SMILES for [(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol is Cn1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2CO)c(-c2ccccc2)n1.
What is the InChIKey of [(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol?
The InChIKey is OTJLLOZZNIBXIS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-21-12-18(19(20-21)14-7-3-2-4-8-14)26(24,25)22-16(13-23)11-15-9-5-6-10-17(15)22/h2-10,12,16,23H,11,13H2,1H3/t16-/m1/s1.
What are the key properties of [(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol?
[(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol has a molecular weight of 369.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol is sourced from PubChem (CID 167858402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).