4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide

C14H19N3O2S — CID 22207260

IUPAC4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCn2ccc(C)n2)cc1
InChIInChI=1S/C14H19N3O2S/c1-12-4-6-14(7-5-12)20(18,19)15-9-3-10-17-11-8-13(2)16-17/h4-8,11,15H,3,9-10H2,1-2H3
InChIKeyMSDGAVQLCUFLPK-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.87
Rot. Bonds6

About 4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide

4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide (PubChem CID 22207260) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide
PubChem CID22207260
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCn2ccc(C)n2)cc1
InChIInChI=1S/C14H19N3O2S/c1-12-4-6-14(7-5-12)20(18,19)15-9-3-10-17-11-8-13(2)16-17/h4-8,11,15H,3,9-10H2,1-2H3
InChIKeyMSDGAVQLCUFLPK-UHFFFAOYSA-N
XLogP1.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methylpyrazol-1-yl)propyl]-4-nitrobenzenesulfonamide
CID 22207264
2,4,6-trimethyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207299
1,3,5-trimethyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 22207301
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 19581232
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 15668303
4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
CID 30948657
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide
CID 60530993
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide (CID 22207260) is 4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCn2ccc(C)n2)cc1.
What is the InChIKey of 4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide?
The InChIKey is MSDGAVQLCUFLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-12-4-6-14(7-5-12)20(18,19)15-9-3-10-17-11-8-13(2)16-17/h4-8,11,15H,3,9-10H2,1-2H3.
What are the key properties of 4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide?
4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 22207260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).