1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide

C13H13BrN4O3S — CID 168718446

IUPAC1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2[nH]ncc2-c2ccccc2Br)C1
InChIInChI=1S/C13H13BrN4O3S/c14-11-4-2-1-3-9(11)10-6-16-17-13(10)18-7-8(5-12(18)19)22(15,20)21/h1-4,6,8H,5,7H2,(H,16,17)(H2,15,20,21)
InChIKeyNRXRIHSMBQNNDW-UHFFFAOYSA-N
MW385.24 g/mol
LogP1.23
Rot. Bonds3

About 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide

1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718446) has the molecular formula C13H13BrN4O3S and a molecular weight of 385.24 g/mol. Its IUPAC name is 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718446
Molecular FormulaC13H13BrN4O3S
Molecular Weight385.24 g/mol
Exact Mass383.99
IUPAC Name1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2[nH]ncc2-c2ccccc2Br)C1
InChIInChI=1S/C13H13BrN4O3S/c14-11-4-2-1-3-9(11)10-6-16-17-13(10)18-7-8(5-12(18)19)22(15,20)21/h1-4,6,8H,5,7H2,(H,16,17)(H2,15,20,21)
InChIKeyNRXRIHSMBQNNDW-UHFFFAOYSA-N
XLogP1.23
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide (CID 168718446) is 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2[nH]ncc2-c2ccccc2Br)C1.
What is the InChIKey of 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is NRXRIHSMBQNNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O3S/c14-11-4-2-1-3-9(11)10-6-16-17-13(10)18-7-8(5-12(18)19)22(15,20)21/h1-4,6,8H,5,7H2,(H,16,17)(H2,15,20,21).
What are the key properties of 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 385.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).