5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide

C16H17N3O2S2 — CID 20947550

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1
InChIInChI=1S/C16H17N3O2S2/c1-10-6-4-5-7-13(10)19-23(20,21)15-9-8-14(22-15)16-11(2)12(3)17-18-16/h4-9,19H,1-3H3,(H,17,18)
InChIKeyYNMPOQWGDSDFSC-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.86
Rot. Bonds4

About 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide (PubChem CID 20947550) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide
PubChem CID20947550
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1
InChIInChI=1S/C16H17N3O2S2/c1-10-6-4-5-7-13(10)19-23(20,21)15-9-8-14(22-15)16-11(2)12(3)17-18-16/h4-9,19H,1-3H3,(H,17,18)
InChIKeyYNMPOQWGDSDFSC-UHFFFAOYSA-N
XLogP3.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide
CID 20947589
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 20947535
N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947510
N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947584
N-(2-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947495
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53138881
2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 46329426
N-(2-fluorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083729
N-(2-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936284
N-(2-ethylphenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068035
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
N-(2-aminophenyl)-5-methylthiophene-2-sulfonamide
CID 28783373

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide (CID 20947550) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is YNMPOQWGDSDFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-10-6-4-5-7-13(10)19-23(20,21)15-9-8-14(22-15)16-11(2)12(3)17-18-16/h4-9,19H,1-3H3,(H,17,18).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 347.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).