N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide

C20H16N2O4S3 — CID 1091832

IUPACN-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H16N2O4S3/c23-28(24,22-19-8-3-6-15-5-1-2-7-18(15)19)17-12-10-16(11-13-17)21-29(25,26)20-9-4-14-27-20/h1-14,21-22H
InChIKeyRDMZAKFXNLPPCR-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.50
Rot. Bonds6

About N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide

N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide (PubChem CID 1091832) has the molecular formula C20H16N2O4S3 and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
PubChem CID1091832
Molecular FormulaC20H16N2O4S3
Molecular Weight444.56 g/mol
Exact Mass444.03
IUPAC NameN-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H16N2O4S3/c23-28(24,22-19-8-3-6-15-5-1-2-7-18(15)19)17-12-10-16(11-13-17)21-29(25,26)20-9-4-14-27-20/h1-14,21-22H
InChIKeyRDMZAKFXNLPPCR-UHFFFAOYSA-N
XLogP4.50
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide (CID 1091832) is N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc2ccccc12)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is RDMZAKFXNLPPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S3/c23-28(24,22-19-8-3-6-15-5-1-2-7-18(15)19)17-12-10-16(11-13-17)21-29(25,26)20-9-4-14-27-20/h1-14,21-22H.
What are the key properties of N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide?
N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 444.56 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 1091832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).