N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide

C15H15N3O2S2 — CID 17407930

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cccs1
InChIInChI=1S/C15H15N3O2S2/c1-11-15(17-22(19,20)14-9-6-10-21-14)12(2)18(16-11)13-7-4-3-5-8-13/h3-10,17H,1-2H3
InChIKeyPBRGLWKOZZSNEL-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.35
Rot. Bonds4

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide (PubChem CID 17407930) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide
PubChem CID17407930
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cccs1
InChIInChI=1S/C15H15N3O2S2/c1-11-15(17-22(19,20)14-9-6-10-21-14)12(2)18(16-11)13-7-4-3-5-8-13/h3-10,17H,1-2H3
InChIKeyPBRGLWKOZZSNEL-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide (CID 17407930) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is PBRGLWKOZZSNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-11-15(17-22(19,20)14-9-6-10-21-14)12(2)18(16-11)13-7-4-3-5-8-13/h3-10,17H,1-2H3.
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 333.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 17407930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).