5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide

C18H21N3O6S — CID 50784621

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)cc(OC)c1OC
InChIInChI=1S/C18H21N3O6S/c1-10-11(2)19-20-17(10)13-6-7-16(27-13)28(22,23)21-12-8-14(24-3)18(26-5)15(9-12)25-4/h6-9,21H,1-5H3,(H,19,20)
InChIKeyHMQMXXDOCXRQTJ-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.11
Rot. Bonds7

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

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide (PubChem CID 50784621) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide
PubChem CID50784621
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)cc(OC)c1OC
InChIInChI=1S/C18H21N3O6S/c1-10-11(2)19-20-17(10)13-6-7-16(27-13)28(22,23)21-12-8-14(24-3)18(26-5)15(9-12)25-4/h6-9,21H,1-5H3,(H,19,20)
InChIKeyHMQMXXDOCXRQTJ-UHFFFAOYSA-N
XLogP3.11
TPSA115.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947510
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide
CID 3508793
N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 50842686
2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 2988024
N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927054
3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide
CID 18738997
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 8512676
N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
CID 46329422
N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
CID 46329425
methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate
CID 53069046
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53138881

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide (CID 50784621) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide is COc1cc(NS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)cc(OC)c1OC.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide?
The InChIKey is HMQMXXDOCXRQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-10-11(2)19-20-17(10)13-6-7-16(27-13)28(22,23)21-12-8-14(24-3)18(26-5)15(9-12)25-4/h6-9,21H,1-5H3,(H,19,20).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide has a molecular weight of 407.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide is sourced from PubChem (CID 50784621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).