N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide

C18H18N2O5S3 — CID 4880029

IUPACN-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2C)cc1
InChIInChI=1S/C18H18N2O5S3/c1-13-5-6-15(20-28(23,24)18-4-3-11-26-18)12-17(13)27(21,22)19-14-7-9-16(25-2)10-8-14/h3-12,19-20H,1-2H3
InChIKeyNXPAJSRHKSVLCF-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.67
Rot. Bonds7

About N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide (PubChem CID 4880029) has the molecular formula C18H18N2O5S3 and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide
PubChem CID4880029
Molecular FormulaC18H18N2O5S3
Molecular Weight438.55 g/mol
Exact Mass438.04
IUPAC NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2C)cc1
InChIInChI=1S/C18H18N2O5S3/c1-13-5-6-15(20-28(23,24)18-4-3-11-26-18)12-17(13)27(21,22)19-14-7-9-16(25-2)10-8-14/h3-12,19-20H,1-2H3
InChIKeyNXPAJSRHKSVLCF-UHFFFAOYSA-N
XLogP3.67
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide (CID 4880029) is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2C)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide?
The InChIKey is NXPAJSRHKSVLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S3/c1-13-5-6-15(20-28(23,24)18-4-3-11-26-18)12-17(13)27(21,22)19-14-7-9-16(25-2)10-8-14/h3-12,19-20H,1-2H3.
What are the key properties of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide?
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide has a molecular weight of 438.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4880029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).