2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide

C15H15N3O2S2 — CID 39837092

IUPAC2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)c(C)s1
InChIInChI=1S/C15H15N3O2S2/c1-11-10-15(12(2)21-11)22(19,20)17-13-4-6-14(7-5-13)18-9-3-8-16-18/h3-10,17H,1-2H3
InChIKeyFVIRURPAKUHBKV-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.35
Rot. Bonds4

About 2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide

2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide (PubChem CID 39837092) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide
PubChem CID39837092
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)c(C)s1
InChIInChI=1S/C15H15N3O2S2/c1-11-10-15(12(2)21-11)22(19,20)17-13-4-6-14(7-5-13)18-9-3-8-16-18/h3-10,17H,1-2H3
InChIKeyFVIRURPAKUHBKV-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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Related Compounds

3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 39837097
N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide
CID 62999857
2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide
CID 75521882
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 31913171
N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914800
N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 103816111
N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 42545354
N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide
CID 61221447
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
CID 47072250
3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
CID 3378223
2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 43238239
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 63563330

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide (CID 39837092) is 2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide?
The InChIKey is FVIRURPAKUHBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-11-10-15(12(2)21-11)22(19,20)17-13-4-6-14(7-5-13)18-9-3-8-16-18/h3-10,17H,1-2H3.
What are the key properties of 2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide?
2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-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 2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 39837092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).