N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H17N3O3S — CID 5047361

IUPACN-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)16-15-9)20(17,18)14-8-11-4-6-12(19-3)7-5-11/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyOSGNBCDTFZKIBL-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.51
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 5047361) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID5047361
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)16-15-9)20(17,18)14-8-11-4-6-12(19-3)7-5-11/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyOSGNBCDTFZKIBL-UHFFFAOYSA-N
XLogP1.51
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 5047361) is N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COc1ccc(CNS(=O)(=O)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is OSGNBCDTFZKIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-13(10(2)16-15-9)20(17,18)14-8-11-4-6-12(19-3)7-5-11/h4-7,14H,8H2,1-3H3,(H,15,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 5047361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).