N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide

C15H13NO4S3 — CID 164678083

IUPACN-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide
SMILESCS(=O)(=O)N(c1cccc2ccccc12)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H13NO4S3/c1-22(17,18)16(23(19,20)15-10-5-11-21-15)14-9-4-7-12-6-2-3-8-13(12)14/h2-11H,1H3
InChIKeyJMMMFTULHXOZAJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.06
Rot. Bonds4

About N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide

N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide (PubChem CID 164678083) has the molecular formula C15H13NO4S3 and a molecular weight of 367.47 g/mol. Its IUPAC name is N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide
PubChem CID164678083
Molecular FormulaC15H13NO4S3
Molecular Weight367.47 g/mol
Exact Mass367.00
IUPAC NameN-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide
SMILESCS(=O)(=O)N(c1cccc2ccccc12)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H13NO4S3/c1-22(17,18)16(23(19,20)15-10-5-11-21-15)14-9-4-7-12-6-2-3-8-13(12)14/h2-11H,1H3
InChIKeyJMMMFTULHXOZAJ-UHFFFAOYSA-N
XLogP3.06
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide?
The IUPAC name of N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide (CID 164678083) is N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide?
The canonical SMILES for N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide is CS(=O)(=O)N(c1cccc2ccccc12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide?
The InChIKey is JMMMFTULHXOZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S3/c1-22(17,18)16(23(19,20)15-10-5-11-21-15)14-9-4-7-12-6-2-3-8-13(12)14/h2-11H,1H3.
What are the key properties of N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide?
N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide is sourced from PubChem (CID 164678083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).