N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide

C18H27N3O2S — CID 42283139

IUPACN,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cn(-c2ccccc2)nc1C
InChIInChI=1S/C18H27N3O2S/c1-4-6-13-20(14-7-5-2)24(22,23)18-15-21(19-16(18)3)17-11-9-8-10-12-17/h8-12,15H,4-7,13-14H2,1-3H3
InChIKeyLYSQVMQDYSOIRQ-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.77
Rot. Bonds9

About N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide

N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 42283139) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide
PubChem CID42283139
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cn(-c2ccccc2)nc1C
InChIInChI=1S/C18H27N3O2S/c1-4-6-13-20(14-7-5-2)24(22,23)18-15-21(19-16(18)3)17-11-9-8-10-12-17/h8-12,15H,4-7,13-14H2,1-3H3
InChIKeyLYSQVMQDYSOIRQ-UHFFFAOYSA-N
XLogP3.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide (CID 42283139) is N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1cn(-c2ccccc2)nc1C.
What is the InChIKey of N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is LYSQVMQDYSOIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-4-6-13-20(14-7-5-2)24(22,23)18-15-21(19-16(18)3)17-11-9-8-10-12-17/h8-12,15H,4-7,13-14H2,1-3H3.
What are the key properties of N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide?
N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 349.50 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).