2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide

C12H14N4O3S — CID 61067736

IUPAC2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1cccc(S(N)(=O)=O)c1)n1cccn1
InChIInChI=1S/C12H14N4O3S/c1-9(16-7-3-6-14-16)12(17)15-10-4-2-5-11(8-10)20(13,18)19/h2-9H,1H3,(H,15,17)(H2,13,18,19)
InChIKeyBBSQAVVJZHKDFO-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.73
Rot. Bonds4

About 2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide

2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide (PubChem CID 61067736) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
PubChem CID61067736
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1cccc(S(N)(=O)=O)c1)n1cccn1
InChIInChI=1S/C12H14N4O3S/c1-9(16-7-3-6-14-16)12(17)15-10-4-2-5-11(8-10)20(13,18)19/h2-9H,1H3,(H,15,17)(H2,13,18,19)
InChIKeyBBSQAVVJZHKDFO-UHFFFAOYSA-N
XLogP0.73
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 134060380
(2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide
CID 39843542
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 41023511
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CID 43211185
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide
CID 60529931
(2S)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274937
(2R)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274940
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
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CID 119717826

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide (CID 61067736) is 2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide is CC(C(=O)Nc1cccc(S(N)(=O)=O)c1)n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is BBSQAVVJZHKDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-9(16-7-3-6-14-16)12(17)15-10-4-2-5-11(8-10)20(13,18)19/h2-9H,1H3,(H,15,17)(H2,13,18,19).
What are the key properties of 2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide?
2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 294.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 61067736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).