N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide

C14H13N3O4S2 — CID 72717690

IUPACN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)cn1
InChIInChI=1S/C14H13N3O4S2/c1-17-9-11(8-15-17)23(19,20)16-7-10-4-5-13(22-10)14(18)12-3-2-6-21-12/h2-6,8-9,16H,7H2,1H3
InChIKeyZCQWXEUNCKQPHU-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.78
Rot. Bonds6

About N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 72717690) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID72717690
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)cn1
InChIInChI=1S/C14H13N3O4S2/c1-17-9-11(8-15-17)23(19,20)16-7-10-4-5-13(22-10)14(18)12-3-2-6-21-12/h2-6,8-9,16H,7H2,1H3
InChIKeyZCQWXEUNCKQPHU-UHFFFAOYSA-N
XLogP1.78
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide (CID 72717690) is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)cn1.
What is the InChIKey of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is ZCQWXEUNCKQPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-17-9-11(8-15-17)23(19,20)16-7-10-4-5-13(22-10)14(18)12-3-2-6-21-12/h2-6,8-9,16H,7H2,1H3.
What are the key properties of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide?
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 351.41 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 72717690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).