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

C18H18N2O6S3 — CID 2174592

IUPACN-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(OC)c1
InChIInChI=1S/C18H18N2O6S3/c1-25-14-7-10-16(17(12-14)26-2)20-28(21,22)15-8-5-13(6-9-15)19-29(23,24)18-4-3-11-27-18/h3-12,19-20H,1-2H3
InChIKeyLPWIOGKQUIDJOL-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.37
Rot. Bonds8

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

N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 2174592) has the molecular formula C18H18N2O6S3 and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID2174592
Molecular FormulaC18H18N2O6S3
Molecular Weight454.55 g/mol
Exact Mass454.03
IUPAC NameN-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(OC)c1
InChIInChI=1S/C18H18N2O6S3/c1-25-14-7-10-16(17(12-14)26-2)20-28(21,22)15-8-5-13(6-9-15)19-29(23,24)18-4-3-11-27-18/h3-12,19-20H,1-2H3
InChIKeyLPWIOGKQUIDJOL-UHFFFAOYSA-N
XLogP3.37
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 2174592) is N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(OC)c1.
What is the InChIKey of N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is LPWIOGKQUIDJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S3/c1-25-14-7-10-16(17(12-14)26-2)20-28(21,22)15-8-5-13(6-9-15)19-29(23,24)18-4-3-11-27-18/h3-12,19-20H,1-2H3.
What are the key properties of N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 454.55 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2174592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).