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

C15H17N3O3S2 — CID 20947611

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)N(C)Cc3ccco3)s2)c1C
InChIInChI=1S/C15H17N3O3S2/c1-10-11(2)16-17-15(10)13-6-7-14(22-13)23(19,20)18(3)9-12-5-4-8-21-12/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeySZYFOGJGOBEJKB-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.17
Rot. Bonds5

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

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide (PubChem CID 20947611) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide
PubChem CID20947611
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)N(C)Cc3ccco3)s2)c1C
InChIInChI=1S/C15H17N3O3S2/c1-10-11(2)16-17-15(10)13-6-7-14(22-13)23(19,20)18(3)9-12-5-4-8-21-12/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeySZYFOGJGOBEJKB-UHFFFAOYSA-N
XLogP3.17
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide (CID 20947611) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide is Cc1[nH]nc(-c2ccc(S(=O)(=O)N(C)Cc3ccco3)s2)c1C.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is SZYFOGJGOBEJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-10-11(2)16-17-15(10)13-6-7-14(22-13)23(19,20)18(3)9-12-5-4-8-21-12/h4-8H,9H2,1-3H3,(H,16,17).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 351.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 20947611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).