N-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide

C11H13NO3S2 — CID 715042

IUPACN-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccco2)c(C)s1
InChIInChI=1S/C11H13NO3S2/c1-8-6-11(9(2)16-8)17(13,14)12-7-10-4-3-5-15-10/h3-6,12H,7H2,1-2H3
InChIKeySKHOVVFIOSPMED-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds4

About N-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide

N-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 715042) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID715042
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC NameN-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccco2)c(C)s1
InChIInChI=1S/C11H13NO3S2/c1-8-6-11(9(2)16-8)17(13,14)12-7-10-4-3-5-15-10/h3-6,12H,7H2,1-2H3
InChIKeySKHOVVFIOSPMED-UHFFFAOYSA-N
XLogP2.44
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide (CID 715042) is N-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCc2ccco2)c(C)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is SKHOVVFIOSPMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S2/c1-8-6-11(9(2)16-8)17(13,14)12-7-10-4-3-5-15-10/h3-6,12H,7H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide?
N-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 271.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 715042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).