N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide

C15H17N3O3S2 — CID 53131053

IUPACN-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCCn1nccc1-c1csc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C15H17N3O3S2/c1-2-7-18-14(5-6-16-18)12-9-15(22-11-12)23(19,20)17-10-13-4-3-8-21-13/h3-6,8-9,11,17H,2,7,10H2,1H3
InChIKeyYFLNTCFUVVDQRS-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.09
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide

N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 53131053) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID53131053
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCCn1nccc1-c1csc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C15H17N3O3S2/c1-2-7-18-14(5-6-16-18)12-9-15(22-11-12)23(19,20)17-10-13-4-3-8-21-13/h3-6,8-9,11,17H,2,7,10H2,1H3
InChIKeyYFLNTCFUVVDQRS-UHFFFAOYSA-N
XLogP3.09
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide (CID 53131053) is N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide is CCCn1nccc1-c1csc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is YFLNTCFUVVDQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-2-7-18-14(5-6-16-18)12-9-15(22-11-12)23(19,20)17-10-13-4-3-8-21-13/h3-6,8-9,11,17H,2,7,10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 351.45 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53131053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).