N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C16H19N3O3S2 — CID 163350050

IUPACN-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCc1ccc(-c2ccco2)s1
InChIInChI=1S/C16H19N3O3S2/c1-11-16(12(2)19(3)18-11)24(20,21)17-9-8-13-6-7-15(23-13)14-5-4-10-22-14/h4-7,10,17H,8-9H2,1-3H3
InChIKeyDNVBTFBMEISKGH-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.88
Rot. Bonds6

About N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 163350050) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID163350050
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCc1ccc(-c2ccco2)s1
InChIInChI=1S/C16H19N3O3S2/c1-11-16(12(2)19(3)18-11)24(20,21)17-9-8-13-6-7-15(23-13)14-5-4-10-22-14/h4-7,10,17H,8-9H2,1-3H3
InChIKeyDNVBTFBMEISKGH-UHFFFAOYSA-N
XLogP2.88
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 163350050) is N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCCc1ccc(-c2ccco2)s1.
What is the InChIKey of N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is DNVBTFBMEISKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-11-16(12(2)19(3)18-11)24(20,21)17-9-8-13-6-7-15(23-13)14-5-4-10-22-14/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 365.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 163350050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).