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

C14H15N3O3S2 — CID 72717961

IUPACN-(furan-3-ylmethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(Cc2ccoc2)Cc2cccs2)cn1
InChIInChI=1S/C14H15N3O3S2/c1-16-10-14(7-15-16)22(18,19)17(8-12-4-5-20-11-12)9-13-3-2-6-21-13/h2-7,10-11H,8-9H2,1H3
InChIKeyLNVXUFLVPHHIAM-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.47
Rot. Bonds6

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

N-(furan-3-ylmethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 72717961) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID72717961
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC NameN-(furan-3-ylmethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(Cc2ccoc2)Cc2cccs2)cn1
InChIInChI=1S/C14H15N3O3S2/c1-16-10-14(7-15-16)22(18,19)17(8-12-4-5-20-11-12)9-13-3-2-6-21-13/h2-7,10-11H,8-9H2,1H3
InChIKeyLNVXUFLVPHHIAM-UHFFFAOYSA-N
XLogP2.47
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.47
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-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (CID 72717961) is N-(furan-3-ylmethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(Cc2ccoc2)Cc2cccs2)cn1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is LNVXUFLVPHHIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-16-10-14(7-15-16)22(18,19)17(8-12-4-5-20-11-12)9-13-3-2-6-21-13/h2-7,10-11H,8-9H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
N-(furan-3-ylmethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 337.43 g/mol, XLogP of 2.47, 6 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-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 72717961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).