6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide

C12H11ClN4O3S — CID 61283170

IUPAC6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCc3ccn[nH]3)c(Cl)cc2N1
InChIInChI=1S/C12H11ClN4O3S/c13-9-5-10-7(4-12(18)16-10)3-11(9)21(19,20)15-6-8-1-2-14-17-8/h1-3,5,15H,4,6H2,(H,14,17)(H,16,18)
InChIKeyGOXFORSUOWJQKR-UHFFFAOYSA-N
MW326.77 g/mol
LogP1.04
Rot. Bonds4

About 6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide

6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide (PubChem CID 61283170) has the molecular formula C12H11ClN4O3S and a molecular weight of 326.77 g/mol. Its IUPAC name is 6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide
PubChem CID61283170
Molecular FormulaC12H11ClN4O3S
Molecular Weight326.77 g/mol
Exact Mass326.02
IUPAC Name6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCc3ccn[nH]3)c(Cl)cc2N1
InChIInChI=1S/C12H11ClN4O3S/c13-9-5-10-7(4-12(18)16-10)3-11(9)21(19,20)15-6-8-1-2-14-17-8/h1-3,5,15H,4,6H2,(H,14,17)(H,16,18)
InChIKeyGOXFORSUOWJQKR-UHFFFAOYSA-N
XLogP1.04
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide (CID 61283170) is 6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCc3ccn[nH]3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The InChIKey is GOXFORSUOWJQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3S/c13-9-5-10-7(4-12(18)16-10)3-11(9)21(19,20)15-6-8-1-2-14-17-8/h1-3,5,15H,4,6H2,(H,14,17)(H,16,18).
What are the key properties of 6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide has a molecular weight of 326.77 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 61283170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).