N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide

C15H15NO3S2 — CID 110732957

IUPACN-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cc3ccccc3o2)s1
InChIInChI=1S/C15H15NO3S2/c1-11-7-8-15(20-11)21(17,18)16(2)10-13-9-12-5-3-4-6-14(12)19-13/h3-9H,10H2,1-2H3
InChIKeyRLWQBHMJEXASDG-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.62
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide

N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide (PubChem CID 110732957) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide
PubChem CID110732957
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cc3ccccc3o2)s1
InChIInChI=1S/C15H15NO3S2/c1-11-7-8-15(20-11)21(17,18)16(2)10-13-9-12-5-3-4-6-14(12)19-13/h3-9H,10H2,1-2H3
InChIKeyRLWQBHMJEXASDG-UHFFFAOYSA-N
XLogP3.62
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide (CID 110732957) is N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2cc3ccccc3o2)s1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide?
The InChIKey is RLWQBHMJEXASDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-11-7-8-15(20-11)21(17,18)16(2)10-13-9-12-5-3-4-6-14(12)19-13/h3-9H,10H2,1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide?
N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide has a molecular weight of 321.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 110732957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).