N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide

C20H15NO4S3 — CID 155936795

IUPACN-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1cccc2ccccc12)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H15NO4S3/c22-27(23,17-10-2-1-3-11-17)21(28(24,25)20-14-7-15-26-20)19-13-6-9-16-8-4-5-12-18(16)19/h1-15H
InChIKeyPHMHGORUYILGBP-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.49
Rot. Bonds5

About N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide

N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide (PubChem CID 155936795) has the molecular formula C20H15NO4S3 and a molecular weight of 429.54 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide
PubChem CID155936795
Molecular FormulaC20H15NO4S3
Molecular Weight429.54 g/mol
Exact Mass429.02
IUPAC NameN-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1cccc2ccccc12)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H15NO4S3/c22-27(23,17-10-2-1-3-11-17)21(28(24,25)20-14-7-15-26-20)19-13-6-9-16-8-4-5-12-18(16)19/h1-15H
InChIKeyPHMHGORUYILGBP-UHFFFAOYSA-N
XLogP4.49
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide (CID 155936795) is N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide is O=S(=O)(c1ccccc1)N(c1cccc2ccccc12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide?
The InChIKey is PHMHGORUYILGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4S3/c22-27(23,17-10-2-1-3-11-17)21(28(24,25)20-14-7-15-26-20)19-13-6-9-16-8-4-5-12-18(16)19/h1-15H.
What are the key properties of N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide?
N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide has a molecular weight of 429.54 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide is sourced from PubChem (CID 155936795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).