N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide

C15H17N3O3S2 — CID 72717977

IUPACN-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)cn1
InChIInChI=1S/C15H17N3O3S2/c1-17-11-15(9-16-17)23(19,20)18(10-13-5-7-21-12-13)6-4-14-3-2-8-22-14/h2-3,5,7-9,11-12H,4,6,10H2,1H3
InChIKeyLTSRIMWYRGKEGJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.51
Rot. Bonds7

About N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide

N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide (PubChem CID 72717977) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
PubChem CID72717977
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)cn1
InChIInChI=1S/C15H17N3O3S2/c1-17-11-15(9-16-17)23(19,20)18(10-13-5-7-21-12-13)6-4-14-3-2-8-22-14/h2-3,5,7-9,11-12H,4,6,10H2,1H3
InChIKeyLTSRIMWYRGKEGJ-UHFFFAOYSA-N
XLogP2.51
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide (CID 72717977) is N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)cn1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is LTSRIMWYRGKEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-17-11-15(9-16-17)23(19,20)18(10-13-5-7-21-12-13)6-4-14-3-2-8-22-14/h2-3,5,7-9,11-12H,4,6,10H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 351.45 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 72717977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).