5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide

C15H13NO2S3 — CID 134152694

IUPAC5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2ccc3ccccc3c2)s1
InChIInChI=1S/C15H13NO2S3/c16-21(17,18)15-8-7-14(20-15)19-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H2,16,17,18)
InChIKeyFBVRPMPAPFOBSJ-UHFFFAOYSA-N
MW335.48 g/mol
LogP3.84
Rot. Bonds4

About 5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide

5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide (PubChem CID 134152694) has the molecular formula C15H13NO2S3 and a molecular weight of 335.48 g/mol. Its IUPAC name is 5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide
PubChem CID134152694
Molecular FormulaC15H13NO2S3
Molecular Weight335.48 g/mol
Exact Mass335.01
IUPAC Name5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2ccc3ccccc3c2)s1
InChIInChI=1S/C15H13NO2S3/c16-21(17,18)15-8-7-14(20-15)19-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H2,16,17,18)
InChIKeyFBVRPMPAPFOBSJ-UHFFFAOYSA-N
XLogP3.84
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide (CID 134152694) is 5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(SCc2ccc3ccccc3c2)s1.
What is the InChIKey of 5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide?
The InChIKey is FBVRPMPAPFOBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S3/c16-21(17,18)15-8-7-14(20-15)19-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H2,16,17,18).
What are the key properties of 5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide?
5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide has a molecular weight of 335.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide is sourced from PubChem (CID 134152694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).