4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide

C13H17N3O2S — CID 53017323

IUPAC4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide
SMILESCCCn1ccc(NS(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C13H17N3O2S/c1-3-9-16-10-8-13(14-16)15-19(17,18)12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,14,15)
InChIKeyUWEYCDXHZTVHSO-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.40
Rot. Bonds5

About 4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide

4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide (PubChem CID 53017323) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide
PubChem CID53017323
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide
SMILESCCCn1ccc(NS(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C13H17N3O2S/c1-3-9-16-10-8-13(14-16)15-19(17,18)12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,14,15)
InChIKeyUWEYCDXHZTVHSO-UHFFFAOYSA-N
XLogP2.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
CID 22209166
N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22201934
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22204619
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22205631
4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207260
N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide
CID 110281530
4-butan-2-yl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202090
2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201917
4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 22434373
4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60823882
4-tert-butyl-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22205634

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide (CID 53017323) is 4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide is CCCn1ccc(NS(=O)(=O)c2ccc(C)cc2)n1.
What is the InChIKey of 4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is UWEYCDXHZTVHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-9-16-10-8-13(14-16)15-19(17,18)12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide?
4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 53017323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).