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

C17H19N3O4S2 — CID 20947510

IUPACN-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc1OC
InChIInChI=1S/C17H19N3O4S2/c1-10-11(2)18-19-17(10)15-7-8-16(25-15)26(21,22)20-12-5-6-13(23-3)14(9-12)24-4/h5-9,20H,1-4H3,(H,18,19)
InChIKeyKGUZMHQILPCDRE-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.57
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 20947510) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID20947510
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc1OC
InChIInChI=1S/C17H19N3O4S2/c1-10-11(2)18-19-17(10)15-7-8-16(25-15)26(21,22)20-12-5-6-13(23-3)14(9-12)24-4/h5-9,20H,1-4H3,(H,18,19)
InChIKeyKGUZMHQILPCDRE-UHFFFAOYSA-N
XLogP3.57
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947584
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 20947535
N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 53102768
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide
CID 20947550
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide
CID 20947589
N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923062
N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 50842686
N-(2-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947495
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide
CID 50784621
N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 45106866
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53138881
N-[[5-[(3,4-dimethoxyphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553867

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 20947510) is N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is KGUZMHQILPCDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-10-11(2)18-19-17(10)15-7-8-16(25-15)26(21,22)20-12-5-6-13(23-3)14(9-12)24-4/h5-9,20H,1-4H3,(H,18,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 393.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).