N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide

C13H16N4O3S — CID 61130308

IUPACN-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CCn1cccn1
InChIInChI=1S/C13H16N4O3S/c1-10-3-4-11(21(14,19)20)9-12(10)16-13(18)5-8-17-7-2-6-15-17/h2-4,6-7,9H,5,8H2,1H3,(H,16,18)(H2,14,19,20)
InChIKeyUEABBPNAEUXXHH-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.87
Rot. Bonds5

About N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide

N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide (PubChem CID 61130308) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide
PubChem CID61130308
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CCn1cccn1
InChIInChI=1S/C13H16N4O3S/c1-10-3-4-11(21(14,19)20)9-12(10)16-13(18)5-8-17-7-2-6-15-17/h2-4,6-7,9H,5,8H2,1H3,(H,16,18)(H2,14,19,20)
InChIKeyUEABBPNAEUXXHH-UHFFFAOYSA-N
XLogP0.87
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
CID 61130686
N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 99832953
N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 82757585
5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 107908940
N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
CID 61128800
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
ethyl N-(2-methyl-5-sulfamoylphenyl)carbamate
CID 61063184
2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339335
N-(1,3-dimethylpyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 134704539

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide (CID 61130308) is N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)CCn1cccn1.
What is the InChIKey of N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is UEABBPNAEUXXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-10-3-4-11(21(14,19)20)9-12(10)16-13(18)5-8-17-7-2-6-15-17/h2-4,6-7,9H,5,8H2,1H3,(H,16,18)(H2,14,19,20).
What are the key properties of N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide?
N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 308.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 61130308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).