N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide

C18H18N2O5S3 — CID 2176514

IUPACN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C18H18N2O5S3/c1-2-25-16-9-5-14(6-10-16)19-27(21,22)17-11-7-15(8-12-17)20-28(23,24)18-4-3-13-26-18/h3-13,19-20H,2H2,1H3
InChIKeyHDXBZOITSLWLJM-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.75
Rot. Bonds8

About N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 2176514) has the molecular formula C18H18N2O5S3 and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID2176514
Molecular FormulaC18H18N2O5S3
Molecular Weight438.55 g/mol
Exact Mass438.04
IUPAC NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C18H18N2O5S3/c1-2-25-16-9-5-14(6-10-16)19-27(21,22)17-11-7-15(8-12-17)20-28(23,24)18-4-3-13-26-18/h3-13,19-20H,2H2,1H3
InChIKeyHDXBZOITSLWLJM-UHFFFAOYSA-N
XLogP3.75
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 2176514) is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is HDXBZOITSLWLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S3/c1-2-25-16-9-5-14(6-10-16)19-27(21,22)17-11-7-15(8-12-17)20-28(23,24)18-4-3-13-26-18/h3-13,19-20H,2H2,1H3.
What are the key properties of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 438.55 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2176514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).